Structure of PDB 6rl5 Chain E Binding Site BS01

Receptor Information
>6rl5 Chain E (length=418) Species: 290398 (Chromohalobacter israelensis DSM 3043) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QILERMESEVRTYSRSFPTVFTEAKGARLHAEDGNQYIDFLAGAGTLNYG
HNHPKLKQALADYIASDGIVHGLDMWSAAKRDYLETLEEVILKPRGLDYK
VHLPGPTGTNAVEAAIRLARNAKGRHNIVTFTNGFHGVTMGALATTGNRK
FREATGGIPTQGASFMPFDGYMGEGVDTLSYFEKLLGDNSGGLDVPAAVI
IETVQGEGGINPAGIPWLQRLEKICRDHDMLLIVDDIQAGCGRTGKFFSF
EHAGITPDIVTNSKSLSGFGLPFAHVLMRPELDIWKPGQYNGTFRGFNLA
FVTAAAAMRHFWSDDTFERDVQRKGRVVEDRFQKLASFMTEKGHPASERG
RGLMRGLDVGDGDMADKITAQAFKNGLIIETSGHSGQVIKCLCPLTITDE
DLVGGLDILEQSVKEVFG
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 chain6rl5 Chain E Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6rl5 The crystal structure of the tetrameric DABA-aminotransferase EctB, a rate-limiting enzyme in the ectoine biosynthesis pathway.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		G111 T112 F138 H139 D238 I240 Q241 K267
Binding residue
(residue number reindexed from 1)		G108 T109 F135 H136 D235 I237 Q238 K264
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S17 F138 D238 K267
Catalytic site (residue number reindexed from 1) S14 F135 D235 K264
Enzyme Commision number 2.6.1.76: diaminobutyrate--2-oxoglutarate transaminase.
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0045303 diaminobutyrate-2-oxoglutarate transaminase activity
GO:0047307 diaminobutyrate-pyruvate transaminase activity
Biological Process
GO:0009058 biosynthetic process
GO:0019491 ectoine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6rl5, PDBe:6rl5, PDBj:6rl5
PDBsum6rl5
PubMed32112674
UniProtQ9ZEU7|ECTB_CHRSD Diaminobutyrate--2-oxoglutarate transaminase (Gene Name=ectB)

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