ANL Superfamily Solved Structures
Updated May 2025. Currently 328 structures of 130 different proteins.
Protein |
Organism |
Conformation |
PDBs and ligands or mutant structure |
---|---|---|---|
Luciferase | P. pyralis | Alternate | 1LCI, unliganded; 1BA3, bromoform; 5DV9, unliganded; |
C-terminal Domain Disordered | 3IEP, unliganded; 3IER, PEG; 3IES, inhibitor; 3RIX, novel inhibitor. | ||
Adenylate-forming | 4G36, DLSA; 6Q2M, DLSA, mutant; 5KYT, DLSA, red mutant; 5KYV, DLSA, green mutant; 6HPS, iLuc Analog. | ||
Oxidative (TE-forming) | 4G37, chemically cross-linked + DLSA. | ||
PheA | B. brevis | Adenylation | 1AMU, AMP + Phe. |
DhbE | B. subtilis | Adenylation | 1MDF, unliganded; 1MD9, AMP + DHB; 1MDB, DHB-AMP adenylate. |
Acs | S. enterica | Thioester | 1PG4, adenosine-5-propylphosphate + CoA; 1PG3, same ligands, acetylated on Lys609; 2P2F, acetate, AMP, COA; 2P20, R584A; 2P2B, V386A; 2P2J, K609A; 2P2M, R194A; 2P2Q, R584E; 5JRH, CoA + cAMP. |
Acs | S. cerevisiae | Adenylation | 1RY2, AMP. |
CBAL | A. sp AL3007 | Adenylation | 1T5H, unliganded; 1T5D, 4CB; 2QVX, 2QVY, I303G; 2QVZ, 2QW0, I303A; 3CW8, 4CB-AMP; 3DLP, D402P. |
Thioester | 3CW9, 4CPh-CoA + AMP. | ||
Fatty Acs | T. thermophilus | Aden/Alternate | 1ULT, unliganded. |
Thioester | 1V25, AMPPNP; 1V26, Myristyl-AMP. | ||
Luciferase | L. cruciata | Adenylation | 2D1Q, AMP; 2D1R, oxyluciferin + AMP; 2D1S, N-(dehydroluciferyl)sulfamoyl adenosine; 2D1T, T217I. |
Benzoyl-CL | B. xenovorans | Adenylation | 2V7B , benzoic acid. |
Med. Acs | H. sapiens | Adenylation | 3C5E , ATP; 3DAY , AMPCPP; 3GPC , CoA. |
Thioester | 2WD9 , ibuprofin; 2VZE , AMP; 3EQ6 , butyryl-CoA + AMP; 3B7W , unliganded. | ||
SrfA-C | B. subtilis | ~Adenylation | 2VSQ , Leucine bound to multidomain NRPS. |
DltA | B. cereus | Adenylation | 3DHV , alanyl-AMP; 3FCC , Mg ATP; 3FCE, Ca ATP. 4PZP, unliganded. |
DltA | B. subtilis | Thioester | 3E7W , AMP; 3E7X , AMP. |
AAE | M. acetivorans | Thioester | 3ETC , unliganded. |
FAAL28 | M. tuberculosis | N-terminal domain only | 3E53 , unliganded; 3T5A , G330W mutant. |
Fatty Acs | A. fulgidus | Alternate | 3G7S , unliganded. |
PaaK1 | B. cenocepacia | Adenylation | 2Y27 , ATP; 2Y4N , PhenylacetylAMP. |
PaaK2 | B. cenocepacia | Thioester | 2Y4O , phenylacetyl adenylate. |
4Coumarate CoA Ligase | P. tomentosa | Alternate | 3A9U , unliganded. |
Thioester | 3A9V, AMP. 3NI2, Adenylate inhibitor. | ||
o-Succinyl benzoylCoA ligase | S. aureus | Alternate | 3IPL , unliganded. |
o-Succinyl benzoylCoA ligase (MenE) | E. coli | Adenylate, open | 5C5H , OSB-AMP; 6NJ0 , OSB-mPhenyl-AMP. |
o-Succinyl benzoylCoA ligase (MenE) | B. subtilis | Alternate/Adenylate/TE | 5BUQ , unliganded; 5BUR , ATP; 5X8F , TE Conf AMP+SuccCoA; 5BUS , AMP. |
SidN | N. lolii | Disordered and Alternate | 3ITE , unliganded. |
FAAL | R. palustrus | Cterm disordered | 3IVR , unliganded. |
FAAL | E. coli | Adenylate | 3PBK , acyl-adenylate. |
FAAL | L. pneumophilia | Alternate | 3KXW , FA adenylate; 3LNV , FA adenylate + PPi. |
Ala-polyphosphoribitol ligase | S. pyogenes | Adenylation | 3L8C , unliganded; 3LGX , ATP. |
EhpF | P. agglomerans | No C-terminal domain | 3L2K , phenazine dicarboxylate. |
Malonyl-CoA Ligase | S. coelicolor | thioester | 3NYQ , AMP + MeMalonyl-CoA; 3NYR , AMP + Malonyl-CoA. |
BasE | A. baumannii | C-term disordered | 3O82 , Adenylate Inh; 3O83 , Adenylate Inh; 3O84 , HTS Inh8; 3U16, HTS Inh67; 3U17, HTS Inh70; 9MY5, V336A, 4-MeSal; 9MY6, V336A/S247C, 4FSal; 9MY7, V336G, 4aminoSal. |
4-Coumaroyl-CoA Ligase: Stilbene Synthase Fusion | A. thaliana | C-term disordered | 3TSY , Fusion Protein. |
FAAL13 | M. tuberculosis | C-term disordered or cleaved | 3T5B , unliganded; 3T5C , unliganded. 5ZRN , 1-OH-dodecyl-AMS. |
Alternate | 3R44 , None in Active Site. | ||
Luciferase | L. turkestanicus | C-term disordered | 3QYA , Red-emitter; 4M46 , Green-emitter; |
EntE-B Fusion | E. coli | thioester | 3RG2 , Mech-Based inhibitor. Trap with ArCP. 4IZ6 , Mech-Based inhibitor. Trap with ArCP, twinned. |
PA1221 | P. aearuginosa | thioester | 4DG8 , AMP + cryo; 4DG9 , Mech-Based inhibitor. Trap with PCP. |
MatB | R. palustris | Adenylate | 4FUQ , unliganded; 4FUT , ATP; 4GXQ , ATP/chimeric; 4GXR , ATP. |
Phenylacetate:CoA Ligase | B. thetaiotaomicron | Multiple | 4RVN , AMP+CoA; 4RVO , CoA; 4R1M , AMP; 4R1L , ADP/AMP. |
CytC1 | Streptomyces sp. | Adenylate | 3VNR , ADP; 3VNS , Val+AMP; 3VNQ , ATP. |
FadD10 | M. tuberculosis | Alternate | 4IR7, FA-AMP; 4ISB, unlig. |
BaiB, Bile acid CoA ligase | C. scindens | C-term Disordered | 4LGC, Unliganded. |
Benzoate CoA Ligase | R. palustris | Multiple States | 4EAT, 4RLF, 4RLQ, 4RM2, 4RM3, 4RMN, 4ZJZ. 6M2T. 6M2O. 6M2U. |
Odd, small family member | D. fermentans | Very Open, dimeric | 4GS5,unliganded. |
Acs C-term only | S. enterica | Complex with PAT | 4U5Y,protein-protein complex. |
VinN | Streptomyces halstedtii | Cterm truncated/disordered | 3WVN,L-Aspartate; 3WV5,3-MeAsp; 3WV4,unliganded. |
ApnA A1 | P. agardhii | Partial disordered or TE-forming | 4D4G, AMPPNP; 4D4H, Apo; 4D4I, AMPPNP + Arg; 4D56, Tyr-AMP; 4D57, Arg-AMP. |
AlmE | V. cholera | Thioester-forming | 4OXI , Gly-AMP. |
McyG | Mycrocystis aeruginosa | Adenylate-forming | 4R0M , Aden-PCP. |
4-Coumarate:CoA Ligase | Nicotiana tabacum | Adenylate-forming | 5BSM , ATP. |
Thioester-forming | 5BSR , AMP+CoA; 5BST , Coumaroyl-AMP; 5BSU , Caffeoyl-AMP; 5BSV , Feruoyl-AMP; 5BSW , feruoyl-AMP (V341Mut). | ||
Open | 5U95 , unliganded. | ||
AuaEII | Stigmatella aurantiaca | Adenylate-forming | 4WV3 , Anthraniloyl-AMP. |
FadD32 | Mycobacterium smegmatis | Adenylate-forming or cleaved | 5D6N, N-term apo; 5D6J, full-length, ATP; 5EY8, AMPC20; 5ICR, Acyl-AMP. |
ABBFA_003403 | Acinetobacter baumannii | Adenylate-forming | 4ZXH , complete module; 4ZXI, module+AMP+Gly. |
EntF | E. coli | Thioester-forming | 5T3D , complete module, Ser-AVS; 5JA1, complete module + YbdZ; 5JA2, complete module + PA2412. |
LgrA | Brevibacillus parabrevis | Initiation module (FT-A-PCP) | Multiple States 5ES5, 5ES6, 5ES7, 5ES8, 5ES9, 5JNF, 6ULZ, |
2019 Structures | 6MFX, FATC; 6MFW, FATC; 6MFY, FATCA; 6MFZ, FATCAT; 6MG0, FATCA. | ||
2025 Structures | 9MEH, 9BE3, 9BE4. | ||
FadD32 | Mycobacterium marinum | Adenylate-forming | 5EY9, acyl-AMP. |
FadD32 | Mycobacterium tuberculosis | Adenylate-forming | 5HM3, PhU-AMS. |
PtmA2 | Streptomyces platensis | ~Adenylate-forming | 5E7Q, apo. |
Open | 5UPQ, adenylate. | ||
MbtA | Mycobacterium smegmatis | Intermediate | 5KEI, apo. |
Oxalyl-CoA Synthetase | A. thaliana | Adenylate-forming | 5IE0, Oxalate. |
Thr1 Synthetase | Streptomyces sp. Oh-5093 | Adenylate-forming | 5N9X, ATP+threonine (chain A), AMP+Thr (chain B); 5N9W, unliganded. |
Acetyl-CoA Synthetase | Cryptococcus neoformans | multiple conformations | 5K85, Propyl-AMP; 5U29, acetyl-AMS; 5K8F, acetyl-AMP; 5IFI, Propyl-AMP; 5VPV, acetylated. |
Acyl-CoA Synthetase | Brucella canis | Open | 5U2A, unliganded. |
IdnL1 | Streptomyces sp. ML694-90F3 | thioester-forming | 5JJQ, b-aminoacyl-adenylate. |
adenylate-forming | 6AKD, Ala-AMS.> | ||
CmiS6 | Streptomyces sp MJ635-86F5 | C-terminal Domain Disordered | 5JJP, unliganded |
PrpE | Dinoroseobacter shibae | Thioester-forming | 5GXD, AMP, acrylate, and CoA. |
Carboxylic Acid Reductase NRPS | Nocardia iowensis | Adenylate-forming | 5MSC, AMP; 5MSD, benzoic acid. |
Carboxylic Acid Reductase (NRPS) | Segniliparus rugosus | Adenylate-forming | 5MST, AMP; 5MSW, Aden-PCP+AMP. |
Thioester-forming | 5MSS, Aden-PCP+AMP. | ||
PqsA | Pseudomonas aeruginosa | N-terminal Domain Only | 5OE3, Ant-AMP; 5OE4, Ant-AMP; 5OE5, Ant-AMP; 5OE6, 6F-Ant-AMP. |
DhbF (MLP-Aden-PCP-Cond) | Geobacillus | Open Conformation | 5U89, Gly-AVS. |
TioS (A4a-ME-A4b) + TioT | Micromonospora sp. ML1 | TE Conformation + MLP | 5WMM, Val-AMP. Interrupted Aden with ME. |
TycA, engineered | B. paribrevis | C-term truncated | 5N81, o-propargyl-bPhe-AMP; 5N82, bPhe-AMP. 7YWK, AMP; 7YWJ, L313P mutant. 9BFD, part of cross-link complex. |
McbA | M. thermotolerans | Adenylate | 6H1B, Indolecarboxylate + AMP. 6SQ8, Indolecarboxylate + AMP. |
Blue Shifted Luciferase | A. vivianii | Open | 6AAA, unliganded. |
Acetoacetyl-CoA Synthetase | S. lividans | Adenylate | 4WD1, unliganded. |
Propionyl-CoA Synthetase | Erythrobacter sp. | Large Multidomain multifunctional | 6EQO, NADP+ADPcP. |
Proto-luciferase | Zophobas morio | N-terminal Domain only | 4W8O, PEG. |
Txo1 Cond-Aden | Eleftheria terrae | Di-domain (C-A) | 6OYF, Txo1, no C-term; 6OZV, Txo1, AMP+no C-term; 6P4U, Txo1, no C-term; 6P1J, Txo2, with C-term. |
ObiF1 | Burkholderia diffusa | Adenylate | 6N8E, Complete Module (CATTeMLP). |
FscH | Thermobifida fusca | C-term Disordered | 6EA3, Ser-AMP, Bound to MLP. |
2HCL | Aquincola tertiaricarbonis | Multiple | 6HDW, 2HIB-AMP (Aden); 6HDX, R3HIB-AMP (Aden); 6HDY, S3-HB-AMP (Aden); 6HE0, 2HIB-AMP + CoA (TE); 6HE2, 2HIB-AMP + CoA (open). |
EntE | Escherichia coli | Thioester-Forming | 6IYK, 2NB-AMS; 6HDX, 3CyanoB-AMS. |
Methylmercaptopropionate-CoA Ligase | Ruegeria lacuscaerulensis | Multiple | 6IHK, ADP (TE- and open); 6IJB, 3MMPA + AMP (Aden and open); |
CahJ | Micromonospora sp ML1 | Thioester-forming | 5WM2, Sal+AMP; 5WM3, Sal-AMP; 5WM4, 6MeSal-AMP; 5WM5, 5MeSal-AMP; 5WM6, Benzoyl-AMP; 5WM7, AMP. |
PltF (+ PltL) | P. protegens | Thioester-forming | 6O6E, A-PCP with Pro-AVS; 7THQ, PltF plus PigG with Pro-AVS; |
CAR Aden GR01_22995 | M. chelonae | Adenylate-forming | 6OZ1, AMP + Succinate; |
NpsA | K. oxytoca | Multiple | 6VHT, N-term Dom; 6VHU, N-term Dom; 6VHV, + 3HA-AMS; 6VHW, N-term Dom + 3HB-AMS; 6VHX, N-term Dom + 3HA-AMS; 6VHY, NpsA-ThdA Fusion + AVS; 6VHZ, N-term Dom + Ant-AMS. |
Oxalyl-CoA Synthetase | L. sativus | Thioester | 6QJZ, AMP. |
FmoA3 | Streptomyces sp Sp080513GE-23 | Multidomain NRPS | 6LTA, unliganded; 6LTB, AMPPNP; 6LTC, MeSer + AMP; 6LTD, MeSer + AMP. |
StsA | Bacillus stratosphericus | Aden-KR-PCP | 6ULW, Aden-KR didomain; 6ULX, adenylate; 6ULY, adenylate. |
Acetyl-CoA Synthetase | C. albicans | Thioester | 7KDS, propyl-AMP. |
Acetyl-CoA Synthetase | A. fumigatus | Thioester | 7KDN, propyl-AMP. |
Acetyl-CoA Synthetase | C. immitis | Thioester | 7KQ6, propyl-AMP. |
Acetyl-CoA Synthetase | C. posadasii | Thioester | 7KCP, propyl-AMP. |
CfaL | P. brasiliense | Open | 7A9J, R395G+CFA; 7A9I, CFA. |
HitB-HitD | E. scabrispora | Various | 6M01, TE-forming, A-PCP complex; 7DQ5, Adenylate-forming, AMS; 7DQ6, Adenylate-forming, AMS inh; 8YYR, Adenylate-forming; AMS inh; 8YYQ, Adenylate-forming; AMS inh. |
Luciferase | Lampyridae | Adenylate-forming | 6K4C, Ancient Lucif, Lucif-AMS. |
Acs | L. pneumonophila | Thioester-forming | 7MMZ, Ethyl-AMP. |
BmdBC | Thermoactinomyces vulgaris | C-term disordered | Complex of BmdB (Cy-A-T) with Oxidase. 7LY4, CryoEM BmdBC complex; 7LY5, BmdB fragment + BmdC; 7LY7, BmdB+BmdC complex. |
PchE | Pseudomonas aeruginosa | Multiple | CryoEM Structures of PchE, with ArCP-Cy-A-E-T architecture. 7EMY, 7EN1, 7EN2. |
DltA | Staphylococcus aureus | Adenylate-forming | 7VHV, ATP |
PchD | Pseudomonas aeruginosa | Adenylate-forming | 7TYB, Sal-AMS 7TZ4, CyanoSal-AMS |
FAAL | Synechococcus | Adenylate-forming | 7R7E, AMP+PPi; 7R7F, steroyl-adenylate. |
DltA | Lactiplantibacillus plantarum | Adenylate-forming | 7R27, AMP. |
Pls-A | Streptomyces albulus | Adenylate-forming | 7WEW, bound to Lys-AMP |
FadD23 | Mycobacterium tuberculosis | Adenylate-forming | 8HD4, bound to palmitoyl-AMP; 8HDF, bound to AMPPNP; 8HCZ, N-term domain only. |
PigI | Serratia sp. ATCC39006 | Thioester-forming | 7THN, A-PCP didomain complex, with AVS. |
CmnG | Saccharothrix mutabilis | Thioester-forming | 7XBS, unliganded; 7XBT, ATP; 7XBU, capreomycidine; 7XBV, AMPPNP. |
FadD8 | Mycobacteria tuberculosis | Core domain only | 8IVI, unliganded. |
Tcp9 | Actinoplanes teichomyceticus | N-term only | 8GJ4, unliganded; 8GIC, HPG; 8GJP, core-ANC2; 8GKM, core-ANC3; 8GLC, core-ANC4. |
McyB | Microcystis aeruginosa | Cond-Aden-PCP | 8HLK, AMP+Leu. 8JBRK, ATP & PPant. |
PosA | Acinetobacter baumannii | Core domain only | 8G95, unliganded; 8G96, L-Ornithine; 8G97, D-Ornithine; 8G98, Lysine. |
AcylACP Synth | Vibrio harveyi | Aden-forming (hexameric ring) | 8HSY, unliganded; 8JYL, C10-AMS; 8JYU, C10-AMP. |
VinM-VinL | Streptomyces halstedii | Thioester-forming PCP complex | 8K4R, holo-PCP. |
GrsB1 | Aneurinibacillus migulanus | N-term only | 8P5O, unliganded. |
AcsA | Leishmania infantum | TE-forming | 8SF3, CoA + AMP + Acetate; 8U2T, CoA + AMP. |
Oxalyl-CoA Synth | Saccharomyces cerevisiae | Open | 8AFF, unliganded. |
Acetyl-CoA Synth | Metallosphaera sedula | TE-forming | 8BIQ, Acetyl-AMP. |
Amide Bond Synth | Streptoalloteichus hindustanus | Open & ~Aden-forming | 8PYY, unliganded; 8PYX, adenosine; 8PPP, AMPCPP. |
CysF | Kitasatospora cystarginea | Open | 8RA0, unliganded |
Acetyl-CoA Synth | Chloroflexota bacterium | TE-forming | 8RPK, unliganded trimer; 8RPL, AMP trimer. |
FadD5 | Mycobacterium tuberculosis | N-term only | 8R2R, unliganded; 8R2Q, unliganded. |
Acs | Saccharomyces cerevisiae | Aden-forming | 8RWJ, Filament!!. |
Tri17-Nitrosylase | Streptomyces tsukubensis | Aden-forming | 8TF7, Filament!!. 9BQ0, Filament!!. |
Feruoyl-CoA Synth | Amycolatopsis thermoflava | Adenylate-forming | 8WEU, unliganded; 8WEV, AMP. |
NRPS-like alanyl transferase AstC | Streptomyces yokosukanensis | ~Aden-forming | 8WWW, Ala-AMS |
CmaA6 | Kutzneria albida | Aden-forming & Alt | 8ZTZ, AMP; 9IJF, unliganded. |
FbsH | Acinetobacter baumannii | Alt | 9BHY, DHB; 9BHZ, SalAMS. |
Acs | Bacillus subtilis | Aden-forming | 9G79, N-term only Filament form; 9G7F, Filament form. |
SulM | Paraburkhholderia acidicola | N-term only | 9N1U, 2,3-Dap; 9N1V, mDap-AMS. |
Some of the structures were determined in our lab, while others have been determined by other structural biologists throughout the world. References to publications are available at the links at the Protein Data Bank.
Please contact me (
) with updates or corrections.
Studies in the Gulick Lab on NRPSs and Related proteins are supported by NIH Grant R35-GM136235.