Structure of PDB 3a12 Chain G Binding Site BS01

Receptor Information
>3a12 Chain G (length=436) Species: 69014 (Thermococcus kodakarensis KOD1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YDYYVDKGYEPSKKRDIIAVFRVTPAEGYTIEQAAGAVAAESSTGTWTTL
YPWYEQERWADLSAKAYDFHDMGDGSWIVRIAYPFHAFEEANLPGLLASI
AGNIFGMKRVKGLRLEDLYFPEKLIREFDGPAFGIEGVRKMLEIKDRPIY
GVVPKPKVGYSPEEFEKLAYDLLSNGADYMKDDENLTSPWYNRFEERAEI
MAKIIDKVENETGEKKTWFANITADLLEMEQRLEVLADLGLKHAMVDVVI
TGWGALRYIRDLAADYGLAIHGHRAMHAAFTRNPYHGISMFVLAKLYRLI
GIDQLHVGTAGAGKLEGGKWDVIQNARILRESHYKPDENDVFHLEQKFYS
IKAAFPTSSGGLHPGNIQPVIEALGTDIVLQLGGGTLGHPDGPAAGARAV
RQAIDAIMQGIPLDEYAKTHKELARALEKWGHVTPV
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3a12 Chain G Residue 445 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3a12 Structure-based catalytic optimization of a type III Rubisco from a hyperthermophile
Resolution2.3 Å
Binding residue
(original residue number in PDB)		K189 D191 E192
Binding residue
(residue number reindexed from 1)		K181 D183 E184
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K163 K189 D190 D191 E192 H281 H314 K322
Catalytic site (residue number reindexed from 1) K155 K181 D182 D183 E184 H273 H306 K314
Enzyme Commision number 4.1.1.39: ribulose-bisphosphate carboxylase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016491 oxidoreductase activity
GO:0016829 lyase activity
GO:0016984 ribulose-bisphosphate carboxylase activity
GO:0046872 metal ion binding
Biological Process
GO:0006196 AMP catabolic process
GO:0015977 carbon fixation

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Molecular Function
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Biological Process
External links
PDB RCSB:3a12, PDBe:3a12, PDBj:3a12
PDBsum3a12
PubMed20926376
UniProtO93627|RBL_THEKO Ribulose bisphosphate carboxylase (Gene Name=rbcL)

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