Structure of PDB 5t3j Chain A Binding Site BS01

Receptor Information
>5t3j Chain A (length=257) Species: 3880 (Medicago truncatula) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPHQLNHFSDVANKAANAAGDVIRKYFRKSPVTIADQSAEEAMVSVILDN
FPSHAVYGEEKGWRCKQDSADYVWVLDPIDGTKSFITGKPLFGTLIALLQ
NGTPILGIIDQPVLKERWIGITGKRTTLNGQEVSTRTCADLSQAYLYTTS
PHLFSGDAEEAFIRVRDKVKIPLYGCDCYAYALLSSGFVDLVVESGLKPY
DFLALIPVIEGSGGVITDWKGHQLRWEASPLSIATSFNVVAAGDKQIHQQ
ALDSLQW
Ligand information
Ligand IDSEY
InChIInChI=1S/CH4N2Se/c2-1(3)4/h(H4,2,3,4)
InChIKeyIYKVLICPFCEZOF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NC(N)=[Se]
OpenEye OEToolkits 1.7.6C(=[Se])(N)N
ACDLabs 12.01[Se]=C(N)N
FormulaC H4 N2 Se
Nameselenourea
ChEMBLCHEMBL3187603
DrugBank
ZINC
PDB chain5t3j Chain A 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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PDB5t3j Selenourea: a convenient phasing vehicle for macromolecular X-ray crystal structures.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		Q62 F120 Y141
Binding residue
(residue number reindexed from 1)		Q4 F51 Y72
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D105 E128 D146 I148 D149 T151 D270
Catalytic site (residue number reindexed from 1) D36 E59 D77 I79 D80 T82 D201
Enzyme Commision number 3.1.3.15: histidinol-phosphatase.
Gene Ontology
Molecular Function
GO:0004401 histidinol-phosphatase activity

View graph for
Molecular Function
External links
PDB RCSB:5t3j, PDBe:5t3j, PDBj:5t3j
PDBsum5t3j
PubMed27841370
UniProtG7J7Q5

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