Structure of PDB 3b1c Chain B Binding Site BS01

Receptor Information
>3b1c Chain B (length=386) Species: 1328 (Streptococcus anginosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYNFQTAPNRLSHHTYKWKETETDPQLLPAWIADMDFEVMPEVKQAIHDY
AEQLVYGYTYASDELLQAVLDWEKSEHQYSFDKEDIVFVEGVVPAISIAI
QAFTKEGEAVLINSPVYPPFARSVRLNNRKLVSNSLKEENGLFQIDFEQL
ENDIVENDVKLYLLCNPHNPGGRVWEREVLEQIGHLCQKHHVILVSDEIH
QDLTLFGHEHVSFNTVSPDFKDFALVLSSATKTFNIAGTKNSYAIIENPT
LCAQFKHQQLVNNHHEVSSLGYIATETAYRYGKPWLVALKAVLEENIQFA
VEYFAQEAPRLKVMKPQGTYLIWLDFSDYGLTDDALFTLLHDQAKVILNR
GSDYGSEGELHARLNIAAPKSLVEEICKRIVCCLPK
Ligand information
Ligand IDPLP
InChIInChI=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)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain3b1c Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3b1c Structural insights into catalysis by beta C-S lyase from Streptococcus anginosus
Resolution1.93 Å
Binding residue
(original residue number in PDB)		G93 V94 V95 Y119 D199 I201 H202 K234
Binding residue
(residue number reindexed from 1)		G91 V92 V93 Y117 D197 I199 H200 K232
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y119 D199 I201
Catalytic site (residue number reindexed from 1) Y117 D197 I199
Enzyme Commision number 4.4.1.13: cysteine-S-conjugate beta-lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009058 biosynthetic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3b1c, PDBe:3b1c, PDBj:3b1c
PDBsum3b1c
PubMed22674431
UniProtA6BMJ3

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