Structure of PDB 1dgj Chain A Binding Site BS03

Receptor Information
>1dgj Chain A (length=906) Species: 876 (Desulfovibrio desulfuricans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
METKTLIVNGMARRLLVSPNDLLVDVLRSQLQLTSVKVGCGKGQCGACTV
ILDGKVVRACIIKMSRVAENASVTTLEGIGAPDCLHPLQHAWIQHGAAQC
GFCTPGFIVSAKALLDENVAPSREDVRDWFQKHHNICRCTGYKPLVDAVM
DAAAILRGEKTVEEISFKMPADGRIWGSSIPRPSAVAKVTGLAEFGADAA
LRMPENTLHLALAQAKVSHALIKGIDTSEAEKMPGVYKVLTHKDVKGKNR
ITGLITFPTNKGDGWERPILNDSKIFQYGDALAIVCADSEANARAAAEKV
KFDLELLPEYMSAPEAMAPDAIEIHPGTPNVYYDQLEEKGEDTVPFFNDP
ANVVAEGSYYTQRQPHLPIEPDVGYGYINEQGQVVIHSKSVAIHLHALMI
APGLGLEFPKDLVLVQNTTGGTFGYKFSPTMEALVGVAVMATGRPCHLRY
NYEQQQNYTGKRSPFWTTMRYAADRQGKILAMETDWSVDHGPYSEFGDLL
TLRGAQYIGAGYGIANIRGTGRTVATNHCWGAAFRGYGAPESEFPSEVLM
DELAEKLGMDPFELRALNCYREGDTTSSGQIPEVMSLPEMFDKMRPYYEE
SKKRVKERSTAEIKRGVGVALGVYGAGLDGPDTSEAWVELNDDGSVTLGN
SWEDHGQGADAGSLGTAHEALRPLGITPENIHLVMNDTSKTPNSGPAGGS
RSQVVTGNAIRVACEMLIEGMRKPGGGFFTPAEMKAEGRPMRYDGKWTAP
AKDCDAKGQGSPFACYMYGLFLTEVAVEVATGKATVEKMVCVADIGKICN
KLVVDGQIYGGLAQGVGLALSEDYEDLKKHSTMGGAGIPSIKMIPDDIEI
VYVETPRKDGPFGASGVGEMPLTAPHAAIINGIYNACGARVRHLPARPEK
VLEAMP
Ligand information
Ligand ID2MO
InChIInChI=1S/Mo.2O
InChIKeyQXYJCZRRLLQGCR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.385
OpenEye OEToolkits 2.0.7		O=[Mo]=O
FormulaMo O2
NameMOLYBDENUM (IV)OXIDE
ChEMBL
DrugBank
ZINC
PDB chain1dgj Chain A Residue 910 [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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PDB1dgj Gene sequence and crystal structure of the aldehyde oxidoreductase from Desulfovibrio desulfuricans ATCC 27774.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		G424 R535 G698 E869
Binding residue
(residue number reindexed from 1)		G424 R535 G698 E869
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) V391 F427 R503 Y507 R535 E869 M870
Catalytic site (residue number reindexed from 1) V391 F427 R503 Y507 R535 E869 M870
Enzyme Commision number 1.2.-.-
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:1dgj, PDBe:1dgj, PDBj:1dgj
PDBsum1dgj
PubMed10704312
UniProtQ9REC4

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