Structure of PDB 8ih7 Chain C Binding Site BS02

Receptor Information
>8ih7 Chain C (length=339) Species: 306 (Pseudomonas sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMIDQAKKIYISDVTLRDGMHAIRHRYTLNHVSQIARALDEAGVDSIEVA
HGDGLKGSSFNYGFGAYSDLEWISAAAEAVKQAKIATLLLPGIGTVHDLR
EAYDAGARVVRVATHCTEADVSRQHIEYARGLGMDTVGFLMMSHMQTPVG
LAQQAKLMENYGAQCIYVVDSGGAMNMWDIAERFKALKDVLDPATQTGMH
AHHNLSLGVANSLVALENGCDRVDASLTGMGAGAGNAPLEVFIAAAERMG
LNHGCDVKKLINAAEDIVRPLQERPVRVDRETLALGYAGVYSSFLRHAET
AAKKYNLSAFDILVELGKRRMIGGQEDMIVDVALDMAKG
Ligand information
Ligand IDOXL
InChIInChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
InChIKeyMUBZPKHOEPUJKR-UHFFFAOYSA-L
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-]C(=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(=O)(C(=O)[O-])[O-]
FormulaC2 O4
NameOXALATE ION
ChEMBL
DrugBank
ZINC
PDB chain8ih7 Chain C Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ih7 AmnG-AmnH complex
Resolution2.48 Å
Binding residue
(original residue number in PDB)		R16 M140 V168 S170 H199 H201 Y290
Binding residue
(residue number reindexed from 1)		R17 M141 V169 S171 H200 H202 Y291
Annotation score2
Enzymatic activity
Enzyme Commision number 4.1.3.39: 4-hydroxy-2-oxovalerate aldolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003852 2-isopropylmalate synthase activity
GO:0008701 4-hydroxy-2-oxovalerate aldolase activity
GO:0016829 lyase activity
GO:0016833 oxo-acid-lyase activity
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
Biological Process
GO:0009056 catabolic process
GO:0009098 L-leucine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8ih7, PDBe:8ih7, PDBj:8ih7
PDBsum8ih7
PubMed
UniProtQ9KWS0|HOA_PSESP 4-hydroxy-2-oxovalerate aldolase (Gene Name=amnG)

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