Structure of PDB 5bk7 Chain H Binding Site BS01

Receptor Information
>5bk7 Chain H (length=369) Species: 141454 (Streptomyces wadayamensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKENLTQWAYLALNSELNIADGHARQALSPGQQKIVNELPVLWAESEQRP
VQQIESEAHQAYFTLLGQHGYPAEPGRVLSCYSSSVSMEILARSLSASVD
RVALVHPTFDNIADLLRGNGLDLVPVEEDALHGADLSAELLSSVGCVFVT
TPNNPTGRVLAEERLRRLAEQCAEHGTVLALDTSFRGFDAAAHYDHYAVL
QEAGCRWVVIEDTGKLWPTLDLKAGLLVFSEDIGLPVEKIYSDILLGVSP
LILALIREFSRDAADGGLADLHAFILHNRSVVRRALAGVEGVSFPDPESR
SSVERVAFAGRTGTEVWEELQRHHVFALPCRQFHWAEPSDGDHMVRIALS
RSTEPLEKSVQVLRTVLET
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 H Residue 401 [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)		T12 G28 S90 S91 F115 N160 D188 K221 K229 R352
Binding residue
(residue number reindexed from 1)		T6 G22 S84 S85 F109 N154 D182 K215 K223 R346
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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