Structure of PDB 6bve Chain A Binding Site BS01

Receptor Information
>6bve Chain A (length=242) Species: 1111708 (Synechocystis sp. PCC 6803 substr. Kazusa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRKIIIAGNWKMHKTQAEAQAFLQGFKPLIEDAAESREVVLCVPFTDLSG
MSQQLHGGRVRLGAQNVHWEASGAYTGEISAAMLTEIGIHYVVIGHSERR
QYFGETDETANLRVLAAQKAGLIPILCVGESKAQRDAGETEQVIVDQVKK
GLVNVDQSNLVIAYEPIWAIGTGDTCAATEANRVIGLIREQLTNSQVTIQ
YGGSVNANNVDEIMAQPEIDGALVGGASLEPQSFARIVNFQP
Ligand information
Ligand IDPGA
InChIInChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKeyASCFNMCAHFUBCO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC(=O)O
FormulaC2 H5 O6 P
Name2-PHOSPHOGLYCOLIC ACID
ChEMBLCHEMBL47181
DrugBankDB02726
ZINCZINC000003869735
PDB chain6bve Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6bve Structural Basis for the Limited Response to Oxidative and Thiol-Conjugating Agents by Triosephosphate Isomerase From the Photosynthetic BacteriaSynechocystis.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		K11 H96 E165 I170 G171 G203 S204 G225 G226
Binding residue
(residue number reindexed from 1)		K11 H96 E165 I170 G171 G203 S204 G225 G226
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) N9 K11 H96 E98 E165 G171 S204
Catalytic site (residue number reindexed from 1) N9 K11 H96 E98 E165 G171 S204
Enzyme Commision number 5.3.1.1: triose-phosphate isomerase.
Gene Ontology
Molecular Function
GO:0004807 triose-phosphate isomerase activity
GO:0016853 isomerase activity
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0019563 glycerol catabolic process
GO:0046166 glyceraldehyde-3-phosphate biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6bve, PDBe:6bve, PDBj:6bve
PDBsum6bve
PubMed30538993
UniProtQ59994|TPIS_SYNY3 Triosephosphate isomerase (Gene Name=tpiA)

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