Structure of PDB 3isl Chain B Binding Site BS01

Receptor Information
>3isl Chain B (length=387) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RELCTPLRTIMTPGPVEVDPRVLRVMSTPVVGQFDPAFTGIMNETMEMLR
ELFQTKNRWAYPIDGTSRAGIEAVLASVIEPEDDVLIPIYGRFGYLLTEI
AERYGANVHMLECEWGTVFDPEDIIREIKKVKPKIVAMVHGETSTGRIHP
LKAIGEACRTEDALFIVDAVATIGGCEVKVDEWKIDAAIGGTQKCLSVPS
GMAPITYNERVADVIAARNRPITSNYFDLSQLEDYWSERRLNHHTEATTM
LYALREGVRLVLEEGLETRFERHRHHEAALAAGIKAMGLRLFGDDSCKMP
VVTCVEIPGGIDGESVRDMLLAQFGIEIASSFGPLAGKIWRIGTMGYSCR
KENVLFVLAGLEAVLLRHNAGIEAGKALQAALDVYEN
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 chain3isl Chain B Residue 419 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3isl Amino acids from purines in GUT bacteria
Resolution2.06 Å
Binding residue
(original residue number in PDB)		T72 S73 R74 F99 T149 D174 V176 K200
Binding residue
(residue number reindexed from 1)		T66 S67 R68 F93 T143 D168 V170 K194
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.112: (S)-ureidoglycine--glyoxylate transaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004760 L-serine-pyruvate transaminase activity
GO:0008453 alanine-glyoxylate transaminase activity
GO:0008483 transaminase activity
Biological Process
GO:0000256 allantoin catabolic process
GO:0006144 purine nucleobase metabolic process
GO:0019265 glycine biosynthetic process, by transamination of glyoxylate
Cellular Component
GO:0005777 peroxisome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3isl, PDBe:3isl, PDBj:3isl
PDBsum3isl
PubMed
UniProtO32148|PUCG_BACSU (S)-ureidoglycine--glyoxylate transaminase (Gene Name=pucG)

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