Structure of PDB 5d6c Chain H Binding Site BS02
Receptor Information
>5d6c Chain H (length=219) Species:
9606
(Homo sapiens) [
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EVQLVESGGGLVQPGGSLRLSCSASGFSFNSFWMHWVRQVPGKGLVWISF
TNNEGTTTAYADSVRGRFIISRDNAKNTLYLEMNNLRGEDTAVYYCARGD
GGLDDWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFP
EPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICN
VNHKPSNTKVDKKVEPKSC
Ligand information
Ligand ID
57S
InChI
InChI=1S/C13H26NO13P/c1-5(17)14-9-12(21)11(20)7(3-16)26-13(9)27-8(4-25-28(22,23)24)10(19)6(18)2-15/h6-13,15-16,18-21H,2-4H2,1H3,(H,14,17)(H2,22,23,24)/t6-,7+,8+,9+,10-,11+,12+,13-/m0/s1
InChIKey
VRKCYAMLHZHZPR-BXGOZMQFSA-N
SMILES
Software
SMILES
CACTVS 3.385
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)CO
ACDLabs 12.01
C1(C(NC(C)=O)C(C(C(O1)CO)O)O)OC(COP(O)(O)=O)C(O)C(CO)O
OpenEye OEToolkits 1.9.2
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](COP(=O)(O)O)[C@H]([C@H](CO)O)O)CO)O)O
CACTVS 3.385
CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)CO
OpenEye OEToolkits 1.9.2
CC(=O)NC1C(C(C(OC1OC(COP(=O)(O)O)C(C(CO)O)O)CO)O)O
Formula
C13 H26 N O13 P
Name
4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol;
4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol;
4-O-[2-acetamido-2-deoxy-beta-D-glucosyl]-5-O-phosphono-D-ribitol;
4-O-[2-acetamido-2-deoxy-D-glucosyl]-5-O-phosphono-D-ribitol;
4-O-[2-acetamido-2-deoxy-glucosyl]-5-O-phosphono-D-ribitol
ChEMBL
DrugBank
ZINC
ZINC000263614816
PDB chain
5d6c Chain L Residue 303 [
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Receptor-Ligand Complex Structure
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PDB
5d6c
Novel antibody-antibiotic conjugate eliminates intracellular S. aureus.
Resolution
1.72 Å
Binding residue
(original residue number in PDB)
F32 W33 G95 D96
Binding residue
(residue number reindexed from 1)
F32 W33 G99 D100
Annotation score
1
External links
PDB
RCSB:5d6c
,
PDBe:5d6c
,
PDBj:5d6c
PDBsum
5d6c
PubMed
26536114
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