Structure of PDB 1qlm Chain A Binding Site BS02

Receptor Information
>1qlm Chain A (length=316) Species: 2320 (Methanopyrus kandleri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVSVNENALPLVERMIERAELLNVEVQELENGTTVIDCGVEAAGGFEAGL
LFSEVCMGGLATVELTEFEHDGLCLPAVQVTTDHPAVSTLAAQKAGWQVQ
VGDYFAMGSGPARALALKPKETYEEIDYEDDADVAILCLESSELPDEDVA
EHVADECGVDPENLYLLVAPTASIVGSVQVSARVVETGLYKLLEVLEYDV
TRVKYATGTAPIAPVADDDGEAMGRTNDCILYGGTVYLYVEGDDELPEVV
EELPSEASEDYGKPFMKIFEEADYDFYKIDPGVFAPARVVVNDLSTGKTY
TAGEINVDVLKESFSL
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 chain1qlm Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qlm The Crystal Structure of Methenyltetrahydromethano- Pterin Cyclohydrolase from the Hyperthermophilic Archaeon Methanopyrus Kandleri
Resolution2.0 Å
Binding residue
(original residue number in PDB)		W97 K118 H152 E156
Binding residue
(residue number reindexed from 1)		W97 K118 H152 E156
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.4.27: methenyltetrahydromethanopterin cyclohydrolase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0018759 methenyltetrahydromethanopterin cyclohydrolase activity
Biological Process
GO:0006730 one-carbon metabolic process
GO:0015948 methanogenesis
GO:0019386 methanogenesis, from carbon dioxide
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1qlm, PDBe:1qlm, PDBj:1qlm
PDBsum1qlm
PubMed10545331
UniProtP94954|MCH_METKA Methenyltetrahydromethanopterin cyclohydrolase (Gene Name=mch)

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