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Receptor Information

>1bda Chain B (length=265) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TCGLRQYSQPQFRIKGGLFADIASHPWQAAIFAKHRRSPGERFLCGGILI
SSCWILSAAHCFQERFPPHHLTVILGRTYRVVPGEEEQKFEVEKYIVHKE
FDDDTYDNDIALLQLKSDSSRCAQESSVVRTVCLPPADLQLPDWTECELS
GYGKHEALSPFYSERLKEAHVRLYPSSRCTSQHLLNRTVTDNMLCAGDTR
SGGPQANLHDACQGDSGGPLVCLNDGRMTLVGIISWGLGCGQKDVPGVYT
KVTNYLDWIRDNMRP

Ligand ID

2Z0

InChI

InChI=1S/C26H36ClN7O7S/c1-34(2)21-7-3-5-16-13-17(8-9-18(16)21)42(40,41)33-20(10-11-24(37)38)25(39)31-15-23(36)32-19(22(35)14-27)6-4-12-30-26(28)29/h3,5,7-9,13,19-20,33H,4,6,10-12,14-15H2,1-2H3,(H,31,39)(H,32,36)(H,37,38)(H4,28,29,30)/p+1/t19-,20-/m0/s1

InChIKey

VKQAIOBCWDJDIP-PMACEKPBSA-O

SMILES

Software	SMILES
CACTVS 3.385	CN(C)c1cccc2cc(ccc12)[S](=O)(=O)N[CH](CCC(O)=O)C(=O)NCC(=O)N[CH](CCCNC(N)=[NH2+])C(=O)CCl
OpenEye OEToolkits 1.7.5	CN(C)c1cccc2c1ccc(c2)S(=O)(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CCCNC(=[NH2+])N)C(=O)CCl
ACDLabs 12.01	ClCC(=O)C(NC(=O)CNC(=O)C(NS(=O)(=O)c2ccc1c(cccc1N(C)C)c2)CCC(=O)O)CCCNC(=[NH2+])\\N
OpenEye OEToolkits 1.7.5	CN(C)c1cccc2c1ccc(c2)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)CCl
CACTVS 3.385	CN(C)c1cccc2cc(ccc12)[S](=O)(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)CCl

Formula

C26 H37 Cl N7 O7 S

Name

N-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-L-alpha-glutamyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl) butyl]glycinamide;
dansyl-Glu-Gly-Arg-chloromethyl-ketone

ChEMBL

DrugBank

ZINC

PDB chain

1bda Chain B Residue 245 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1bda Lysine 156 promotes the anomalous proenzyme activity of tPA: X-ray crystal structure of single-chain human tPA.
Resolution	3.35 Å
Binding residue (original residue number in PDB)	H57 Y99 R174 D189 A190 Q192 S195 W215 G216
Binding residue (residue number reindexed from 1)	H60 Y106 R187 D210 A211 Q213 S216 W236 G237
Annotation score	1

Catalytic site (original residue number in PDB)	H57 D102 Q192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1)	H60 D109 Q213 G214 D215 S216 G217
Enzyme Commision number	3.4.21.68: t-plasminogen activator.

	Molecular Function
GO:0004252	serine-type endopeptidase activity

	Biological Process
GO:0006508	proteolysis

PDB	RCSB:1bda, PDBe:1bda, PDBj:1bda
PDBsum	1bda
PubMed	9305622
UniProt	P00750\|TPA_HUMAN Tissue-type plasminogen activator (Gene Name=PLAT)

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Structure of PDB 1bda Chain B Binding Site BS01