Structure of PDB 1k0g Chain B Binding Site BS01

Receptor Information
>1k0g Chain B (length=415) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKTLSPAVITLLWRQDAAEFYFSRLSHLPWAMLLHSGYADHPYSRFDIVV
AEPICTLTTFGKETVVSESEKRTTTTDDPLQVLQQVLDRADIRPTHNEDL
PFQGGALGLFGYDLGRRFESLPEIAEQDIVLPDMAVGIYDWALIVDHQRH
TVSLLSHNDVNARRAWLESQQFSPQEDFTLTSDWQSNMTREQYGEKFRQV
QEYLHSGDCYQVNLAQRFHATYSGDEWQAFLQLNQANRAPFSAFLRLEQG
AILSLSPERFILCDNSEIQTRPIKGAENLMIVDLMRNDIGRVAVAGSVKV
PELLVSTITAQLPEQLHASDLLRAAFPGGSITGAPKVRAMEIIDELEPQR
RNAWCGSIGYLSFCGNMDTSITIRTLTAINGQIFCSAGGGIVADSQEEAE
YQETFDKVNRILKQL
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain1k0g Chain B Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1k0g Structure of Escherichia coli aminodeoxychorismate synthase: architectural conservation and diversity in chorismate-utilizing enzymes.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		Y112 D113 R116 D380 R386
Binding residue
(residue number reindexed from 1)		Y112 D113 R116 D344 R350
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E258 K274 E302 S366 W390 R410 G426 E439 K443
Catalytic site (residue number reindexed from 1) E258 K274 E277 S330 W354 R374 G390 E403 K407
Enzyme Commision number 2.6.1.85: aminodeoxychorismate synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016740 transferase activity
GO:0046820 4-amino-4-deoxychorismate synthase activity
GO:0046982 protein heterodimerization activity
GO:0120284 tryptophan binding
Biological Process
GO:0000162 tryptophan biosynthetic process
GO:0008153 para-aminobenzoic acid biosynthetic process
GO:0009058 biosynthetic process
GO:0009396 folic acid-containing compound biosynthetic process
GO:0046654 tetrahydrofolate biosynthetic process
GO:0046656 folic acid biosynthetic process
Cellular Component
GO:0009356 aminodeoxychorismate synthase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1k0g, PDBe:1k0g, PDBj:1k0g
PDBsum1k0g
PubMed11841211
UniProtP05041|PABB_ECOLI Aminodeoxychorismate synthase component 1 (Gene Name=pabB)

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