Structure of PDB 6cz8 Chain A Binding Site BS05

Receptor Information
>6cz8 Chain A (length=814) Species: 94122 (Shewanella sp. ANA-3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAELPAPLRRTGVGEWLATTCQGCTSWCAKQIYVMDGRALKVRGNPNSGV
HGMSSCPRQHLSLQQVYDPDRLRTPMMRTNPKKGRDQDPKFVPISWDKAL
DMLADKIIALRVANEPHKYALLRGRYSHINDLLYKKMTNLIGSPNNISHS
SVCAEAHKMGPYYLDGNWGYNQYDVKNAKFILSFGADPIASNRQVSFYSQ
TWGDSLDHAKVVVVDPRLSASAAKAHKWIPIEPGQDSVLALAIAHVALVE
GVWHKPFVGDFIEGKNLFKAGKTVSVESFKETHTYGLVEWWNQALKDYTP
EWASKITGIDPKTIIAIAKDMGAAAPAVQVWTSRGAVMQARGTYTSISCH
ALNGLFGGIDSKGGLFPGNKTPLLKEYPEAKAYMDEIAAKGVKKEKIDQR
GRLEFPALAKGKSGGGVITANAANGIRNQDPYEIKVMLAYFNNFNFSNPE
GQRWDEALSKVDFMAHITTNVSEFSWFADVLLPSSHHMFEKWGVLDSIGN
GVAQISIQQPSIKRLWDTRIDESEIPYMLAKKLADKGFDAPWRYINEQIV
DPETGKPAADEAEFAKLMVRYLTAPLWKEDASKYGDKLSSWDEFVQKGVW
NSSPYKLEARWGKFKTETTKFEFYSKTLEKALQSHADKHKVSIDEVMKAC
DYQARGHLAFIPHYEEPYRFGDESEFPLLLVDQKSRLNKEGRTANSPWYY
EFKDVDPGDVANEDVAKFNPIDGKKFGLKDGDEIRITSPVGMLTCKAKLW
EGVRPGTVAKCFGQGHWAYGRYASAKFGVTPRGGSNNDLIADRYDRLSGA
SAFYGHIRVRVEKV
Ligand information
Ligand IDO
InChIInChI=1S/H2O/h1H2
InChIKeyXLYOFNOQVPJJNP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		O
CACTVS 3.341[O]
FormulaO
NameOXYGEN ATOM
ChEMBLCHEMBL1098659
DrugBankDB09145
ZINC
PDB chain6cz8 Chain A Residue 907 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6cz8 Structural and mechanistic analysis of the arsenate respiratory reductase provides insight into environmental arsenic transformations.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		R165 H189
Binding residue
(residue number reindexed from 1)		R125 H149
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R98 C193 A194 R374
Catalytic site (residue number reindexed from 1) R58 C153 A154 R334
Enzyme Commision number 1.20.99.1: arsenate reductase (donor).
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0043546 molybdopterin cofactor binding
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Cellular Component
GO:0042597 periplasmic space

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:6cz8, PDBe:6cz8, PDBj:6cz8
PDBsum6cz8
PubMed30104376
UniProtQ7WTU0|ARRA_SHESA Arsenate respiratory reductase molybdopterin-containing subunit ArrA (Gene Name=arrA)

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