Structure of PDB 4rzc Chain E Binding Site BS01

Receptor Information
>4rzc Chain E (length=117) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSVKESEGDLVKPGASLTLTCKASGFDFTWYTMNWVRQAPGKGLEWIASI
GAGVYGSNYYASWAKGRFTISKASSTTVTLQMTSLTVADTATYFCARDGI
NGGYDIWGPGTLVTVSS
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 chain4rzc Chain E Residue 201 [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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PDB4rzc Single-chain antibody-fragment M6P-1 possesses a mannose 6-phosphate monosaccharide-specific binding pocket that distinguishes N-glycan phosphorylation in a branch-specific manner.
Resolution2.723 Å
Binding residue
(original residue number in PDB)		T33 D95 G96 I97 N98
Binding residue
(residue number reindexed from 1)		T32 D98 G99 I100 N101
Annotation score4
External links