Structure of PDB 2dgk Chain B Binding Site BS02
Receptor Information
>2dgk Chain B (length=438) Species:
562
(Escherichia coli) [
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SKRFPLHEMRDDVAFQIINDELYLDGNARQNLATFCQTWDDENVHKLMDL
SINKNWIDKEEYPQSAAIDLRCVNMVADLWHAPAPKNGQAVGTNTIGSSE
ACMLGGMAMKWRWRKRMEAAGKPTDKPNLVCGPVQICWHKFARYWDVELR
EIPMRPGQLFMDPKRMIEACDENTIGVVPTFGVTYTGNYEFPQPLHDALD
KFQADTGIDIDMHIDAASGGFLAPFVAPDIVWDFRLPRVKSISASGHKFG
LAPLGCGWVIWRDEEALPQELVFNVDYLGGQIGTFAINFSRPAGQVIAQY
YEFLRLGREGYTKVQNASYQVAAYLADEIAKLGPYEFICTGRPDEGIPAV
CFKLKDGEDPGYTLYDLSERLRLRGWQVPAFTLGGEATDIVVMRIMCRRG
FEMDFAELLLEDYKASLKYLSDHPKLQGIAQQNSFKHT
Ligand information
Ligand ID
PLP
InChI
InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKey
NGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0
Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04
O=P(O)(O)OCc1cnc(c(O)c1C=O)C
Formula
C8 H10 N O6 P
Name
PYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBL
CHEMBL82202
DrugBank
DB00114
ZINC
ZINC000001532514
PDB chain
2dgk Chain B Residue 1501 [
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Receptor-Ligand Complex Structure
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PDB
2dgk
Escherichia coli acid resistance: pH-sensing, activation by chloride and autoinhibition in GadB
Resolution
1.9 Å
Binding residue
(original residue number in PDB)
S126 S127 Q163 T212 D243 A245 S273 H275 K276 H465
Binding residue
(residue number reindexed from 1)
S98 S99 Q135 T184 D215 A217 S245 H247 K248 H437
Annotation score
1
Enzymatic activity
Enzyme Commision number
4.1.1.15
: glutamate decarboxylase.
Gene Ontology
Molecular Function
GO:0004351
glutamate decarboxylase activity
GO:0005515
protein binding
GO:0016830
carbon-carbon lyase activity
GO:0016831
carboxy-lyase activity
GO:0030170
pyridoxal phosphate binding
Biological Process
GO:0006536
glutamate metabolic process
GO:0006538
glutamate catabolic process
GO:0019752
carboxylic acid metabolic process
GO:0051454
intracellular pH elevation
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0016020
membrane
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:2dgk
,
PDBe:2dgk
,
PDBj:2dgk
PDBsum
2dgk
PubMed
16675957
UniProt
P69910
|DCEB_ECOLI Glutamate decarboxylase beta (Gene Name=gadB)
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