Structure of PDB 3ele Chain A Binding Site BS01

Receptor Information
>3ele Chain A (length=398) Species: 39491 (Agathobacter rectalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMVVNESMYQLGSVRSAIRELFEYGKKRAAIVGKENVYDFSIGNPSIPAP
QIVNDTIKELVTDYDSVALHGYTSAQGDVETRAAIAEFLNNTHGTHFNAD
NLYMTMGAAASLSICFRALTSDAYDEFITIAPYFPEYKVFVNAAGARLVE
VPADTEHFQIDFDALEERINAHTRGVIINSPNNPSGTVYSEETIKKLSDL
LEKKSKEIGRPIFIIADEPYREIVYDGIKVPFVTKYYDNTLVCYSYSKSL
SLPGERIGYVLVPDEVYDKAELYAAVCGAGRALGYVCAPSLFQKMIVKCQ
GATGDINAYKENRDLLYEGLTRIGYHCFKPDGAFYMFVKALEDDSNAFCE
KAKEEDVLIVAADGFGCPGWVRISYCVDREMIKHSMPAFEKIYKKYNK
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 chain3ele Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ele Crystal structure of Amino Transferase (RER070207001803) from Eubacterium rectale at 2.10 A resolution
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G106 A107 F133 N178 N182 D216 Y219 S244 S246 K247 R255
Binding residue
(residue number reindexed from 1)		G107 A108 F134 N179 N183 D217 Y220 S245 S247 K248 R256
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) F133 I207 R209 K247
Catalytic site (residue number reindexed from 1) F134 I208 R210 K248
Enzyme Commision number 2.6.1.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009058 biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3ele, PDBe:3ele, PDBj:3ele
PDBsum3ele
PubMed
UniProtD0VX02

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