Structure of PDB 5d76 Chain A Binding Site BS01

Receptor Information
>5d76 Chain A (length=231) Species: 1289598 (Streptococcus phage phi7917) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVNEALNNVRAQVGSGVSVGNGECYALASWYERMISPDATVGLGAGVGWV
SGATGDTISAKNIGSSYNWQANGWTVSTSGPFQAGQIVTLGATSGNPYGH
VVIVEAVDGDRLTILEQNYGGKRYPTRNYYSAASYRQQVVHYITPPGART
YRETGTMSVTVDAINIRRAPNTSQIVATYKRGESFDYDTVIIDTNGYVWV
SYIGSSGIRNYVATGATKDGKRYGDAWGTFK
Ligand information
Ligand ID58B
InChIInChI=1S/C8H15N3O4/c1-4(9)8(15)11-5(7(10)14)2-3-6(12)13/h4-5H,2-3,9H2,1H3,(H2,10,14)(H,11,15)(H,12,13)/t4-,5+/m0/s1
InChIKeyNKUHWWPUOXOIIR-CRCLSJGQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)N
CACTVS 3.385C[CH](N)C(=O)N[CH](CCC(O)=O)C(N)=O
ACDLabs 12.01C(C(NC(C(N)C)=O)C(N)=O)CC(O)=O
OpenEye OEToolkits 1.9.2CC(C(=O)NC(CCC(=O)O)C(=O)N)N
CACTVS 3.385C[C@H](N)C(=O)N[C@H](CCC(O)=O)C(N)=O
FormulaC8 H15 N3 O4
NameL-alanyl-D-alpha-glutamine
ChEMBLCHEMBL1221945
DrugBank
ZINCZINC000002560935
PDB chain5d76 Chain A Residue 303 [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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PDB5d76 The crystal structure of Ly7917
Resolution2.54 Å
Binding residue
(original residue number in PDB)		A13 S17 A176 N178 R180 W241
Binding residue
(residue number reindexed from 1)		A11 S15 A163 N165 R167 W227
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links