Structure of PDB 6m2h Chain A Binding Site BS01

Receptor Information
>6m2h Chain A (length=119) Species: 243232 (Methanocaldococcus jannaschii DSM 2661) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEALVLVGHGSRLPYSKELLVKLAEKVKERNLFPIVEIGLMEFSEPTIPQ
AVKKAIEQGAKRIIVVPVFLAHGIHTTRDIPRLLGLIEEIPEDVEIIYRE
PIGADDRIVDIIIDRAFGR
Ligand information
Ligand IDNI
InChIInChI=1S/Ni/q+2
InChIKeyVEQPNABPJHWNSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ni++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ni+2]
FormulaNi
NameNICKEL (II) ION
ChEMBL
DrugBankDB14204
ZINC
PDB chain6m2h Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6m2h The nickel-sirohydrochlorin formation mechanism of the ancestral class II chelatase CfbA in coenzyme F430 biosynthesis.
Resolution3.1 Å
Binding residue
(original residue number in PDB)
H9 H75
Binding residue
(residue number reindexed from 1)
H9 H75
Annotation score5
Enzymatic activity
Enzyme Commision number 4.99.1.11: sirohydrochlorin nickelchelatase.
4.99.1.3: sirohydrochlorin cobaltochelatase.
Gene Ontology
Molecular Function
GO:0016151 nickel cation binding
GO:0016829 lyase activity
GO:0016852 sirohydrochlorin cobaltochelatase activity
GO:0046872 metal ion binding
GO:0050897 cobalt ion binding
Biological Process
GO:0009236 cobalamin biosynthetic process
GO:0015948 methanogenesis
GO:0019251 anaerobic cobalamin biosynthetic process

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Molecular Function

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Biological Process
External links
PDB RCSB:6m2h, PDBe:6m2h, PDBj:6m2h
PDBsum6m2h
PubMed34163982
UniProtQ58380|CFBA_METJA Sirohydrochlorin cobaltochelatase (Gene Name=cbiX)

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