Structure of PDB 7qh2 Chain C Binding Site BS01

Receptor Information
>7qh2 Chain C (length=467) Species: 33952 (Acetobacterium woodii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNYKKVEASDIAAIKELIPAERVFVGTEIGEDFSHDELGSIHSYPEVLIK
VTSTEEVSKIMKYAYEHNIPVVVRGSGTGLVGACVPLFGGIMLETTLMNN
ILELDTENLTVTVEPGVLLMELSKFVEENDLFYPPDPGEKSATIAGNIST
NAGGMRAVKYGVTRDYVRGLTVVLANGEIIELGGKIVKNSSGYSLKDLVI
GSEGTLCVITKAILKLLPLPKMTLSLLIPFENISDAAGIVPKIIKSKAIP
TAIEFMERQTILFAEDFLGKKFPDSSSNAYILLTFDGNTKEQVEAEYETV
ANLCLAEGAKDVYIVDTVERKDSVWSARGAFLEAIKASTTEMDECDVVVP
RNRIAEFIEFTHDLAKEMDVRIPSFGHAGDGNLHIYVCRDELCQADWEAK
LAEAMDRMYAKALTFEGLVSGEHGIGYAKRKYLLNDFGTEHLALMAGIKQ
TFDPKNLLNPKKVCQMA
Ligand information
Ligand IDFAD
InChIInChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C
ACDLabs 10.04O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
FormulaC27 H33 N9 O15 P2
NameFLAVIN-ADENINE DINUCLEOTIDE
ChEMBLCHEMBL1232653
DrugBankDB03147
ZINCZINC000008215434
PDB chain7qh2 Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7qh2 Structure-based electron-confurcation mechanism of the Ldh-EtfAB complex.
Resolution2.43 Å
Binding residue
(original residue number in PDB)		V73 G75 S76 G77 T78 G79 L80 A83 C84 P137 G138 E139 A142 T143 G146 N147 S149 T150 A152 G153 E203 G204 I209 E422 H423
Binding residue
(residue number reindexed from 1)		V73 G75 S76 G77 T78 G79 L80 A83 C84 P137 G138 E139 A142 T143 G146 N147 S149 T150 A152 G153 E203 G204 I209 E422 H423
Annotation score2
Enzymatic activity
Enzyme Commision number 1.1.1.436: lactate dehydrogenase (NAD(+),ferredoxin).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008720 D-lactate dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0071949 FAD binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7qh2, PDBe:7qh2, PDBj:7qh2
PDBsum7qh2
PubMed35748623
UniProtH6LBS1|LCTD_ACEWD Lactate dehydrogenase (NAD(+),ferredoxin) subunit LctD (Gene Name=lctD)

[Back to BioLiP]