Structure of PDB 1a5s Chain A Binding Site BS01

Receptor Information
>1a5s Chain A (length=258) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELG
VPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLLM
YANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPI
FICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAENLIEKLKEYHAAPAL
QGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFV
SAMKAASR
Ligand information
Ligand IDFIP
InChIInChI=1S/C11H13FNO4P/c12-9-3-4-11-10(6-9)8(7-13-11)2-1-5-17-18(14,15)16/h3-4,6-7,13H,1-2,5H2,(H2,14,15,16)
InChIKeyYVYGGBFCYXRNKM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1F)c(c[nH]2)CCCOP(=O)(O)O
CACTVS 3.341O[P](O)(=O)OCCCc1c[nH]c2ccc(F)cc12
ACDLabs 10.04Fc1cc2c(cc1)ncc2CCCOP(=O)(O)O
FormulaC11 H13 F N O4 P
Name5-FLUOROINDOLE PROPANOL PHOSPHATE
ChEMBLCHEMBL1160523
DrugBankDB07773
ZINCZINC000003606158
PDB chain1a5s Chain A Residue 270 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1a5s Loop closure and intersubunit communication in tryptophan synthase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		F22 D60 L100 Y175 T183 F212 G213 G234 S235
Binding residue
(residue number reindexed from 1)		F21 D59 L99 Y174 T182 F203 G204 G225 S226
Annotation score1
Binding affinityMOAD: Kd=0.35uM
Enzymatic activity
Catalytic site (original residue number in PDB) E49 D60 Y175
Catalytic site (residue number reindexed from 1) E48 D59 Y174
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1a5s, PDBe:1a5s, PDBj:1a5s
PDBsum1a5s
PubMed9548921
UniProtP00929|TRPA_SALTY Tryptophan synthase alpha chain (Gene Name=trpA)

[Back to BioLiP]