Structure of PDB 1k0e Chain A Binding Site BS01

Receptor Information
>1k0e Chain A (length=437) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLSPAVITLLWRQDAAEFYFSRLSHLPWAMLLHSGYADHPYSRFDIVVAE
PICTLTTFGKETVVSESEKRTTTTDDPLQVLQQVLDRADIRPTHNEDLPF
QGGALGLFGYDLGRRFESLPEIAEQDIVLPDMAVGIYDWALIVDHQRHTV
SLLSHNDVNARRAWLESQQFSPQEDFTLTSDWQSNMTREQYGEKFRQVQE
YLHSGDCYQVNLAQRFHATYSGDEWQAFLQLNQANRAPFSAFLRLEQGAI
LSLSPERFILCDNSEIQTRPIKGTLPRANSAKDRAENLMIVDLMRNDIGR
VAVAGSVKVPELFVVEPFPAVHHLVSTITAQLPEQLHASDLLRAAFPGGS
ITGAPKVRAMEIIDELEPQRRNAWCGSIGYLSFCGNMDTSITIRTLTAIN
GQIFCSAGGGIVADSQEEAEYQETFDKVNRILKQLEK
Ligand information
Ligand IDTRP
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKeyQIVBCDIJIAJPQS-VIFPVBQESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
FormulaC11 H12 N2 O2
NameTRYPTOPHAN
ChEMBLCHEMBL54976
DrugBankDB00150
ZINCZINC000000083315
PDB chain1k0e Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1k0e Structure of Escherichia coli aminodeoxychorismate synthase: architectural conservation and diversity in chorismate-utilizing enzymes.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		L34 H35 S36 Y43 F46 P240 F241 S242
Binding residue
(residue number reindexed from 1)		L32 H33 S34 Y41 F44 P238 F239 S240
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E258 K274 E302 H339 S366 W390 R410 G426 E439 K443
Catalytic site (residue number reindexed from 1) E256 K272 E286 H323 S350 W374 R394 G410 E423 K427
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:1k0e, PDBe:1k0e, PDBj:1k0e
PDBsum1k0e
PubMed11841211
UniProtP05041|PABB_ECOLI Aminodeoxychorismate synthase component 1 (Gene Name=pabB)

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