Structure of PDB 3vth Chain B Binding Site BS01

Receptor Information
>3vth Chain B (length=630) Species: 273068 (Caldanaerobacter subterraneus subsp. tengcongensis MB4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFVPVSPDMGVCEDCLRELKDPKDRRYRYPFINCTNCGPRFSIIEDIPYD
RAKTSMKVFPSREYHDPHDRRFHAQPVAEIKCVAKALKEGKIVAIKGIGG
FHLAVNALDDEAVATLRRRKKRYGKPFAVMMRDVEEVKKYCIVSPEEERL
LLSQRRPIVLLKKKGEKLAKGIADDLDTLGVMLPYAPIHYLLMEEIDFPI
VMTSGNVSEEPICKDNEEALEKLKDIADVFLLNNRDIVNRIDDSVTSFNA
GAERIIRRARGYAPQPILLKKEVKASILAVGGFYKNTFCMTKGHYAFISH
HIGDLDNEKAFNYYIEQIERYKKLFRVDPEVVAHDMHKGYLSTQYAKSLD
LPKIEVQHHHAHIASCMAEHNLDEKVIGIAYDGTGYGTDGNVWGAEILVC
DLKSFERIAHLKYKPLPGNELAIKKIYRTALGFIFDNISFYKNFVEQVDS
RELDIILKQIDRKINTAYVSSMGRFFDAVAALIGVRKEVLFEGQAAMELE
SLMAESEEYYEYEILKEDRYVIDPELILRQIYEDYMKGFEKSYISAKFHN
TVVNFTYDLANLIRKETGINKVVLSGGSFQNRYLLRRLIEKLSLSGFEVY
SNSKVPCNDGGISLGQAVIANKILEGSAWS
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3vth Chain A Residue 811 [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]
PDB3vth Structural basis for the reaction mechanism of S-carbamoylation of HypE by HypF in the maturation of [NiFe]-hydrogenases
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K463 K472
Binding residue
(residue number reindexed from 1)		K338 K347
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.7: acylphosphatase.
6.2.-.-
Gene Ontology
Molecular Function
GO:0003725 double-stranded RNA binding
GO:0003998 acylphosphatase activity
GO:0008270 zinc ion binding
GO:0016743 carboxyl- or carbamoyltransferase activity
GO:0016787 hydrolase activity
GO:0016874 ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0046944 protein carbamoylation
GO:0051604 protein maturation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3vth, PDBe:3vth, PDBj:3vth
PDBsum3vth
PubMed22740694
UniProtQ8RDB0

[Back to BioLiP]