Structure of PDB 1n60 Chain E Binding Site BS01

Receptor Information
>1n60 Chain E (length=796) Species: 504832 (Afipia carboxidovorans OM5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RAEKLQGMGCKRKRVEDIRFTQGKGNYVDDVKLPGMLFGDFVRSSHAHAR
IKSIDTSKAKALPGVFAVLTAADLKPLNLHYMPTLAGDVQAVLADEKVLF
QNQEVAFVVAKDRYVAADAIELVEVDYEPLPVLVDPFKAMEPDAPLLRED
IKDKMTGAHGARKHHNHIFRWEIGDKEGTDATFAKAEVVSKDMFTYHRVH
PSPLETCQCVASMDKIKGELTLWGTFQAPHVIRTVVSLISGLPEHKIHVI
APDIGGGFGNKVGAYSGYVCAVVASIVLGVPVKWVEDRMENLSTTSFARD
YHMTTELAATKDGKILAMRCHVLADHGAFDACADPSKWPAGFMNICTGSY
DMPVAHLAVDGVYTNKASGGVAYRCSFRVTEAVYAIERAIETLAQRLEMD
SADLRIKNFIQPEQFPYMAPLGWEYDSGNYPLAMKKAMDTVGYHQLRAEQ
KAKQEAFKRGETREIMGIGISFFTEIVGAGPSKNCDILGVSMFDSAEIRI
HPTGSVIARMGTKSQGQGHETTYAQIIATELGIPADDIMIEEGNTDTAPY
GLGTYGSRSTPTAGAATAVAARKIKAKAQMIAAHMLEVHEGDLEWDVDRF
RVKGLPEKFKTMKELAWASYNSPPPNLEPGLEAVNYYDPPNMTYPFGAYF
CIMDIDVDTGVAKTRRFYALDDCGTRINPMIIEGQVHGGLTEAFAVAMGQ
EIRYDEQGNVLGASFMDFFLPTAVETPKWETDYTVTPSPHHPIGAKGVGE
SPHVGGVPCFSNAVNDAYAFLNAGHIQMPHDAWRLWKVGEQLGLHV
Ligand information
Ligand IDOMO
InChIInChI=1S/Mo.2H2O.O/h;2*1H2;/q+8;;;/p-2
InChIKeyGKDPEXRCAVYDOG-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2O[Mo+6](=O)O
CACTVS 3.370O[Mo+6](O)=O
ACDLabs 12.01O=[Mo+6](O)O
FormulaH2 Mo O3
NameMO(VI)(=O)(OH)2 CLUSTER
ChEMBL
DrugBankDB04494
ZINC
PDB chain1n60 Chain E Residue 5921 [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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PDB1n60 Catalysis at a dinuclear [CuSMo(=O)OH] cluster in a CO dehydrogenase resolved at 1.1-A resolution
Resolution1.19 Å
Binding residue
(original residue number in PDB)		F271 G272 Y568 G569 E763
Binding residue
(residue number reindexed from 1)		F258 G259 Y555 G556 E750
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q240 V275 P352 I358 R387 C388 E763 S764
Catalytic site (residue number reindexed from 1) Q227 V262 P339 I345 R374 C375 E750 S751
Enzyme Commision number 1.2.5.3: aerobic carbon monoxide dehydrogenase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0005507 copper ion binding
GO:0008805 carbon-monoxide oxygenase activity
GO:0016491 oxidoreductase activity
GO:0030151 molybdenum ion binding
GO:0043885 anaerobic carbon-monoxide dehydrogenase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:1n60, PDBe:1n60, PDBj:1n60
PDBsum1n60
PubMed12475995
UniProtP19919|DCML_AFIC5 Carbon monoxide dehydrogenase large chain (Gene Name=coxL)

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