Structure of PDB 2gcg Chain C Binding Site BS02

Receptor Information
>2gcg Chain C (length=324) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLMKVFVTRRIPAEGRVALARAADCEVEQWDSDEPIPAKELERGVAGAHG
LLCLLSDHVDKRILDAAGANLKVISTMSVGIDHLALDEIKKRGIRVGYTP
DVLTDTTAELAVSLLLTTCRRLPEAIEEVKNGGWTSWKPLWLCGYGLTQS
TVGIIGLGRIGQAIARRLKPFGVQRFLYTGRQPRPEEAAEFQAEFVSTPE
LAAQSDFIVVACSLTPATEGLCNKDFFQKMKETAVFINISRGDVVNQDDL
YQALASGKIAAAGLDVTSPEPLPTNHPLLTLKNCVILPHIGSATHRTRNT
MSLLAANNLLAGLRGEPMPSELKL
Ligand information
Ligand IDDGY
InChIInChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1
InChIKeyRBNPOMFGQQGHHO-UWTATZPHSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(O)CO
OpenEye OEToolkits 1.5.0C(C(C(=O)O)O)O
CACTVS 3.341OC[CH](O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@H](C(=O)O)O)O
CACTVS 3.341OC[C@@H](O)C(O)=O
FormulaC3 H6 O4
Name(2R)-2,3-DIHYDROXYPROPANOIC ACID
ChEMBL
DrugBank
ZINCZINC000000895140
PDB chain2gcg Chain C Residue 3002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2gcg Structural basis of substrate specificity in human glyoxylate reductase/hydroxypyruvate reductase
Resolution2.2 Å
Binding residue
(original residue number in PDB)		L59 S82 V83 G84 R245 H293 S296
Binding residue
(residue number reindexed from 1)		L55 S78 V79 G80 R241 H289 S292
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) L107 R245 D269 E274 H293
Catalytic site (residue number reindexed from 1) L103 R241 D265 E270 H289
Enzyme Commision number 1.1.1.79: glyoxylate reductase (NADP(+)).
1.1.1.81: hydroxypyruvate reductase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008465 hydroxypyruvate reductase (NADH) activity
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0016618 hydroxypyruvate reductase [NAD(P)H] activity
GO:0030267 glyoxylate reductase (NADPH) activity
GO:0031406 carboxylic acid binding
GO:0042803 protein homodimerization activity
GO:0050661 NADP binding
GO:0051287 NAD binding
GO:0070402 NADPH binding
GO:0120509 hydroxypyruvate reductase (NADPH) activity
Biological Process
GO:0019752 carboxylic acid metabolic process
GO:0043648 dicarboxylic acid metabolic process
GO:0046487 glyoxylate metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005782 peroxisomal matrix
GO:0005829 cytosol
GO:0070062 extracellular exosome
GO:1902494 catalytic complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2gcg, PDBe:2gcg, PDBj:2gcg
PDBsum2gcg
PubMed16756993
UniProtQ9UBQ7|GRHPR_HUMAN Glyoxylate reductase/hydroxypyruvate reductase (Gene Name=GRHPR)

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