Structure of PDB 5bk7 Chain B Binding Site BS01

Receptor Information
>5bk7 Chain B (length=368) Species: 141454 (Streptomyces wadayamensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KENLTQWAYLALNSELNIADGHARQALSPGQQKIVNELPVLWAESEQRPV
QQIESEAHQAYFTLLGQHGYPAEPGRVLSCYSSSVSMEILARSLSASVDR
VALVHPTFDNIADLLRGNGLDLVPVEEDALHGADLSAELLSSVGCVFVTT
PNNPTGRVLAEERLRRLAEQCAEHGTVLALDTSFRGFDAAAHYDHYAVLQ
EAGCRWVVIEDTGKLWPTLDLKAGLLVFSEDIGLPVEKIYSDILLGVSPL
ILALIREFSRDAADGGLADLHAFILHNRSVVRRALAGVEGVSFPDPESRS
SVERVAFAGRTGTEVWEELQRHHVFALPCRQFHWAEPSDGDHMVRIALSR
STEPLEKSVQVLRTVLET
Ligand information
Ligand IDEQJ
InChIInChI=1S/C14H22N5O7P/c1-8-12(20)10(9(5-18-8)7-26-27(23,24)25)6-19-11(13(21)22)3-2-4-17-14(15)16/h5-6,11,20H,2-4,7H2,1H3,(H,21,22)(H4,15,16,17)(H2,23,24,25)/b19-6+/t11-/m0/s1
InChIKeyPFHOMURYEGODJI-GBCOYWTISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CCCNC(=N)N)C(=O)O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(C=N[C@@H](CCCNC(N)=N)C(O)=O)c1O
ACDLabs 12.01Cc1ncc(COP(O)(=O)O)c(\C=N\C(CCCNC(\N)=N)C(=O)O)c1O
OpenEye OEToolkits 2.0.6[H]/N=C(/N)\NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CCCNC(N)=N)C(O)=O)c1O
FormulaC14 H22 N5 O7 P
Name(E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-arginine
ChEMBL
DrugBank
ZINC
PDB chain5bk7 Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5bk7 Streptomyces wadayamensis MppP is a PLP-Dependent Oxidase, Not an Oxygenase.
Resolution2.196 Å
Binding residue
(original residue number in PDB)		D249 I250
Binding residue
(residue number reindexed from 1)		D242 I243
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0046872 metal ion binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0009058 biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5bk7, PDBe:5bk7, PDBj:5bk7
PDBsum5bk7
PubMed29473729
UniProtA0A0X1KHF5

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