Structure of PDB 3myr Chain F Binding Site BS03

Receptor Information

>3myr Chain F (length=561) Species: 1049 (Allochromatium vinosum)

MSERIVVDPITRIEGHLRIEAQMDGATIAQAYSSGTMVRGIETILKGRDP
RDAWAFVQRICGVCTLVHGIASVRAVEDALRIELPLNAQLIRNLMIGAQY
IHDHVMHFYHLHALDWVDVVSALSADPRATSELAQSISAWPKSSPGYFAD
TQKRIKTFVESGQLGIFANGYWGHPAYRLPPEANLMAVAHYLEALAWQRD
TAKFHAIFGGKNPHPNFVVGGVPSPIDLDSDSALNAKRLAEVRNLIQSMR
TFVDQVYVPDTLAIAGFYKDWGERGEGLGNFLCYGDLPTGASLDPATFLF
PRGAILDRDLSTIHEVDLEATGEIQEFVNHSWYEYSVGNDRGLHPYEGQT
NLEYDRRGGVAPPYKQLDVSDGYSWLKAPRWKGRSVEVGPLARVLMLYAT
GHDQARELVDSTLSRLDLPVDALYSTLGRTAARALESKILVDAMQGWYDG
LIANVKSGDTKTFNETLWEPSSWPSRAQGVGIMEAPRGALGHWIVIEDGR
IANYQAVVPSTWNAGPRDGRGQAGAYEAALQDNHQLVDVKQPIEILRTIH
SFDPCIACAVH

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3myr Chain F Residue 2006

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3myr The crystal structure of the [NiFe] hydrogenase from the photosynthetic bacterium Allochromatium vinosum: characterization of the oxidized enzyme (Ni-A state).
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): E1042 A1506 H1561
• Binding residue (residue number reindexed from 1): E42 A506 H561
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E1014 C1061 C1064 H1068 R1487 S1510 C1555 C1558
• Catalytic site (residue number reindexed from 1): E14 C61 C64 H68 R487 S510 C555 C558

Gene Ontology

Molecular Function

• GO:0008901 ferredoxin hydrogenase activity
• GO:0016151 nickel cation binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

Cellular Component

• GO:0005886 plasma membrane

External links

• PDB: RCSB:3myr, PDBe:3myr, PDBj:3myr
• PDBsum: 3myr
• PubMed: 20673834
• UniProt: D3RV26