Structure of PDB 6pki Chain A Binding Site BS01

Receptor Information
>6pki Chain A (length=301) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSGPYTKSHGPSHSHRYVRDSQPVAHGTVTHETQAASKHSNSPVLESNIF
ISDITDDSGTHRWVSGHITEVHDPLRSVSVLEPGGPGGCAHNHRELVEVT
AKTRKCLVAQNGGYFDTHTGQCLGNIISDGKLVRNSGGIQNAQFGIRKDG
TLVFGYLSEDDILDQENPFVQLISGVVWLLRKGEIYINESIQAESDKTQE
TGNFRHFVDVISARTAVGHDKEGKLILFHVDGQTDVRGMNLWQVAKFLKD
QNVMNAINLDGGGSATYVLNGSLASYPSDHCNPSKWRCPRAISTVLCIHE
R
Ligand information
Ligand IDM6P
InChIInChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6+/m1/s1
InChIKeyNBSCHQHZLSJFNQ-PQMKYFCFSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
FormulaC6 H13 O9 P
Name6-O-phosphono-alpha-D-mannopyranose;
ALPHA-D-MANNOSE-6-PHOSPHATE;
6-O-phosphono-alpha-D-mannose;
6-O-phosphono-D-mannose;
6-O-phosphono-mannose
ChEMBLCHEMBL402001
DrugBankDB02900
ZINCZINC000004096188
PDB chain6pki Chain A Residue 404 [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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PDB6pki Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme.
Resolution2.293 Å
Binding residue
(original residue number in PDB)		S37 T269 G297 R325
Binding residue
(residue number reindexed from 1)		S2 T234 G262 R290
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links