Structure of PDB 1zxi Chain B Binding Site BS02

Receptor Information
>1zxi Chain B (length=804) Species: 504832 (Afipia carboxidovorans OM5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVEPTSAERAEKLQGMGCKRKRVEDIRFTQGKGNYVDDVKLPGMLFGDFV
RSSHAHARIKSIDTSKAKALPGVFAVLTAADLKPLNLHYMPTLAGDVQAV
LADEKVLFQNQEVAFVVAKDRYVAADAIELVEVDYEPLPVLVDPFKAMEP
DAPLLREDIKDKMTGAHGARKHHNHIFRWEIGDKEGTDATFAKAEVVSKD
MFTYHRVHPSPLETCQCVASMDKIKGELTLWGTFQAPHVIRTVVSLISGL
PEHKIHVIAPDIGGGFGNKVGAYSGYVCAVVASIVLGVPVKWVEDRMENL
STTSFARDYHMTTELAATKDGKILAMRCHVLADHGAFDACADPSKWPAGF
MNICTGSYDMPVAHLAVDGVYTNKASGGVAYRCSFRVTEAVYAIERAIET
LAQRLEMDSADLRIKNFIQPEQFPYMAPLGWEYDSGNYPLAMKKAMDTVG
YHQLRAEQKAKQEAFKRGETREIMGIGISFFTEIVGAGPSKNCDILGVSM
FDSAEIRIHPTGSVIARMGTKSQGQGHETTYAQIIATELGIPADDIMIEE
GNTDTAPYGLGTYGSRSTPTAGAATAVAARKIKAKAQMIAAHMLEVHEGD
LEWDVDRFRVKGLPEKFKTMKELAWASYNSPPPNLEPGLEAVNYYDPPNM
TYPFGAYFCIMDIDIDTGVAKTRRFYALDDCGTRINPMIIEGQVHGGLTE
AFAVAMGQEIRYDEQGNVLGASFMDFFLPTAVETPKWETDYTVTPSPHHP
IGAKGVGESPHVGGVPCFSNAVNDAYAFLNAGHIQMPHDAWRLWKVGEQL
GLHV
Ligand information
Ligand IDCUM
InChIInChI=1S/Cu.Mo.H2O.O.S/h;;1H2;;/q+1;+7;;;/p-1
InChIKeyVFYYAMWTODUIEV-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 12.01[Cu+]S[Mo+6](=O)O
CACTVS 3.370
OpenEye OEToolkits 1.7.2		O[Mo+6](=O)S[Cu+]
FormulaCu H Mo O2 S
NameCU(I)-S-MO(VI)(=O)OH CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain1zxi Chain B Residue 3920 [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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PDB1zxi Structural and functional reconstruction in situ of the [CuSMoO(2)] active site of carbon monoxide dehydrogenase from the carbon monoxide oxidizing eubacterium Oligotropha carboxidovorans
Resolution1.7 Å
Binding residue
(original residue number in PDB)		F271 G272 A385 Y386 R387 C388 Y568 G569 E763
Binding residue
(residue number reindexed from 1)		F266 G267 A380 Y381 R382 C383 Y563 G564 E758
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) Q235 V270 P347 I353 R382 C383 E758 S759
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:1zxi, PDBe:1zxi, PDBj:1zxi
PDBsum1zxi
PubMed16091936
UniProtP19919|DCML_AFIC5 Carbon monoxide dehydrogenase large chain (Gene Name=coxL)

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