Structure of PDB 5drn Chain H Binding Site BS01
Receptor Information
>5drn Chain H (length=213) Species:
9986
(Oryctolagus cuniculus) [
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PEQLKESGGRLVAPGTPLTLTCTVSGFDISDYAMIWVRQAPGKGLEWIGI
IYGGSNKLAYAKWAKGRFTISRTSTTVDLKITSPTTEDTATYFCARGYGS
MDGYDRLNLWGQGTLVTVSSGQPKGPSVFPLAPCTPSSTVTLGCLVKGYL
PEPVTVTWNSGTLTNGVRTFPSVRQSSGLYSLSSVVSVTSSSQPVTCNVA
HPATNTKVDKTVA
Ligand information
Ligand ID
5CT
InChI
InChI=1S/C10H23N3O3/c11-5-4-8(14)7-13-6-2-1-3-9(12)10(15)16/h8-9,13-14H,1-7,11-12H2,(H,15,16)/t8-,9-/m0/s1
InChIKey
BZUIJMCJNWUGKQ-IUCAKERBSA-N
SMILES
Software
SMILES
CACTVS 3.385
NCC[C@H](O)CNCCCC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.4
C(CCNCC(CCN)O)CC(C(=O)O)N
OpenEye OEToolkits 2.0.4
C(CCNC[C@H](CCN)O)C[C@@H](C(=O)O)N
CACTVS 3.385
NCC[CH](O)CNCCCC[CH](N)C(O)=O
ACDLabs 12.01
C(CCNCC(O)CCN)CC(C(=O)O)N
Formula
C10 H23 N3 O3
Name
Hypusine;
N~6~-[(2S)-4-amino-2-hydroxybutyl]-L-lysine
ChEMBL
DrugBank
ZINC
ZINC000002020107
PDB chain
5drn Chain L Residue 303 [
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Receptor-Ligand Complex Structure
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PDB
5drn
Structural Analysis and Optimization of Context-Independent Anti-Hypusine Antibodies.
Resolution
1.994 Å
Binding residue
(original residue number in PDB)
G100A Y100B
Binding residue
(residue number reindexed from 1)
G103 Y104
Annotation score
1
External links
PDB
RCSB:5drn
,
PDBe:5drn
,
PDBj:5drn
PDBsum
5drn
PubMed
26778617
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