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Receptor Information

>4q7z Chain A (length=233) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

IIGGHEVTPHSRPYMASVRFGGQHHCGGFLLRARWVVSAAHCFSHRDLRT
GLVVLGAHVLSTAEPTQQVFGIDALTTHPDYHPMTHANDICLLRLNGSAV
LGPAVGLLRLPGRRARPPTAGTRCRVAGWGFVSDFEELPPGLMEAKVRVL
DPDVCNSSWKGHLTLTMLCTRSGDSHRRGFCSADSGGPLVCRNRAHGLVS
FSGLWCGDPKTPDVYTQVSAFVAWIWDVVRRSS

Ligand ID

2YT

InChI

InChI=1S/C25H35ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-22,33H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/t19-,20-,21-,22+/m0/s1

InChIKey

ZKHBINZTIMXMQW-MYGLTJDJSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(cc1)CC(C(=O)NC(Cc2ccccc2)C(=O)NC(CCCNC(=N)N)C(CCl)O)N
OpenEye OEToolkits 1.7.6	[H]/N=C(/N)\NCCC[C@@H]([C@@H](CCl)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)N
CACTVS 3.385	N[CH](Cc1ccccc1)C(=O)N[CH](Cc2ccccc2)C(=O)N[CH](CCCNC(N)=N)[CH](O)CCl
ACDLabs 12.01	ClCC(O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N
CACTVS 3.385	N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)[C@H](O)CCl

Formula

C25 H35 Cl N6 O3

Name

L-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide;
PHE-PHE-ARG-chloromethylketone

PDB chain

4q7z Chain A Residue 304 [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	4q7z Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease.
Resolution	1.4 Å
Binding residue (original residue number in PDB)	H57 D102 F190 C191 S192 A193 S195 S214 F215 S216 C220
Binding residue (residue number reindexed from 1)	H41 D89 F180 C181 S182 A183 S185 S200 F201 S202 C206
Annotation score	1

Catalytic site (original residue number in PDB)	H57 D102 S192 A193 D194 S195 G196
Catalytic site (residue number reindexed from 1)	H41 D89 S182 A183 D184 S185 G186
Enzyme Commision number	3.4.21.-

	Molecular Function
GO:0004252	serine-type endopeptidase activity
GO:0008201	heparin binding
GO:0008236	serine-type peptidase activity

	Biological Process
GO:0006508	proteolysis

	Cellular Component
GO:0005576	extracellular region
GO:0005615	extracellular space
GO:0035578	azurophil granule lumen

PDB	RCSB:4q7z, PDBe:4q7z, PDBj:4q7z
PDBsum	4q7z
PubMed	25156428
UniProt	Q6UWY2\|PRS57_HUMAN Serine protease 57 (Gene Name=PRSS57)

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Structure of PDB 4q7z Chain A Binding Site BS01