Structure of PDB 1k8z Chain A Binding Site BS01

Receptor Information
>1k8z Chain A (length=257) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALEL
GVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLL
MYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAP
IFICPPNADDDLLRQVASYGRGYTYLLSALPLHHLIEKLKEYHAAPALQG
FGISSPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFVSA
MKAASRA
Ligand information
Ligand IDIAG
InChIInChI=1S/C12H12N2O3/c15-11(14-7-12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6,13H,5,7H2,(H,14,15)(H,16,17)
InChIKeyYDXXLJMIHMIOIF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CNC(=O)Cc2c1ccccc1nc2
CACTVS 3.341OC(=O)CNC(=O)Cc1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(=O)NCC(=O)O
FormulaC12 H12 N2 O3
NameN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID
ChEMBL
DrugBankDB07952
ZINCZINC000000057380
PDB chain1k8z Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1k8z Crystal structure of the beta Ser178--> Pro mutant of tryptophan synthase. A "knock-out" allosteric enzyme.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		F22 E49 D60 I64 L100 Y175 F212 G234 S235
Binding residue
(residue number reindexed from 1)		F22 E49 D60 I64 L100 Y175 F201 G223 S224
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) E49 D60 Y175
Catalytic site (residue number reindexed from 1) E49 D60 Y175
Enzyme Commision number 4.2.1.20: tryptophan synthase.
Gene Ontology
Molecular Function
GO:0004834 tryptophan synthase activity
GO:0005515 protein binding
GO:0016829 lyase activity
Biological Process
GO:0000162 tryptophan biosynthetic process
GO:0006568 tryptophan metabolic process
Cellular Component
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:1k8z, PDBe:1k8z, PDBj:1k8z
PDBsum1k8z
PubMed11756454
UniProtP00929|TRPA_SALTY Tryptophan synthase alpha chain (Gene Name=trpA)

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