Structure of PDB 1a5s Chain B Binding Site BS01
Receptor Information
>1a5s Chain B (length=387) [
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TLLNPYFGEFGGMYVPQILMPALNQLEEAFVRAQKDPEFQAQFADLLKNY
AGRPTALTKCQNITAGTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRMG
KSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLM
GAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVR
EFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGL
IGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSISA
GLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESS
HALAHALKMMREQPEKEQLLVVNLSGRGDKDIFTVHD
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
1a5s Chain B Residue 901 [
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Receptor-Ligand Complex Structure
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PDB
1a5s
Loop closure and intersubunit communication in tryptophan synthase.
Resolution
2.3 Å
Binding residue
(original residue number in PDB)
H86 K87 Q114 T190 G232 G234 S235 N236 G303 E350 S377
Binding residue
(residue number reindexed from 1)
H84 K85 Q112 T188 G230 G232 S233 N234 G301 E348 S375
Annotation score
1
Enzymatic activity
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
GO:0042802
identical protein binding
Biological Process
GO:0000162
tryptophan biosynthetic process
GO:0006568
tryptophan metabolic process
Cellular Component
GO:0005737
cytoplasm
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1a5s
,
PDBe:1a5s
,
PDBj:1a5s
PDBsum
1a5s
PubMed
9548921
UniProt
P0A2K1
|TRPB_SALTY Tryptophan synthase beta chain (Gene Name=trpB)
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