Structure of PDB 6dcm Chain A Binding Site BS01
Receptor Information
>6dcm Chain A (length=85) Species:
9606
(Homo sapiens) [
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EFSEECMHGSGENYDGKISKTMSGLECQAWDSQSPHAHGYIPSKFPNKNL
KKNYCRNPDNDPQGPWCFTTDPNKRWEYCDIPRCA
Ligand information
Ligand ID
ACA
InChI
InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
InChIKey
SLXKOJJOQWFEFD-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C(O)CCCCCN
OpenEye OEToolkits 1.5.0
C(CCC(=O)O)CCN
CACTVS 3.341
NCCCCCC(O)=O
Formula
C6 H13 N O2
Name
6-AMINOHEXANOIC ACID;
AMINOCAPROIC ACID
ChEMBL
CHEMBL1046
DrugBank
DB00513
ZINC
ZINC000001529425
PDB chain
6dcm Chain A Residue 101 [
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Receptor-Ligand Complex Structure
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PDB
6dcm
The atomic resolution crystal structure of Kringle 2 variant bound with EACA
Resolution
1.031 Å
Binding residue
(original residue number in PDB)
D54 D56 W61 F63 R70 W71
Binding residue
(residue number reindexed from 1)
D59 D61 W66 F68 R75 W76
Annotation score
1
External links
PDB
RCSB:6dcm
,
PDBe:6dcm
,
PDBj:6dcm
PDBsum
6dcm
PubMed
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