5PAD

BINDING OF CHLOROMETHYL KETONE SUBSTRATE ANALOGUES TO CRYSTALLINE PAPAIN

Replaces:  6PAP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0006508	biological_process	proteolysis
A	0008234	molecular_function	cysteine-type peptidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
Details	BINDING SITE FOR CHAIN I OF PHQ-GLY-PHE-GLY-CHLOROMETHYLKETONE INHIBITOR

Chain	Residue
A	GLY11
A	GLU35
A	GLY36
A	ILE37
A	ILE38
A	LYS39
A	ILE40
A	LEU45
A	TYR61
A	GLY65
A	GLY66
A	ALA12
A	TYR67
A	VAL133
A	VAL157
A	ASP158
A	HIS159
A	HOH218
A	THR14
A	GLN19
A	GLY23
A	SER24
A	CYS25
A	THR33
A	ILE34

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Functional Information from PROSITE/UniProt

site_id	PS00139
Number of Residues	12
Details	THIOL_PROTEASE_CYS Eukaryotic thiol (cysteine) proteases cysteine active site. QGsCGSCWAfSA

Chain	Residue	Details
A	GLN19-ALA30

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site_id	PS00639
Number of Residues	11
Details	THIOL_PROTEASE_HIS Eukaryotic thiol (cysteine) proteases histidine active site. VDHAVAAVGYG

Chain	Residue	Details
A	VAL157-GLY167

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site_id	PS00640
Number of Residues	20
Details	THIOL_PROTEASE_ASN Eukaryotic thiol (cysteine) proteases asparagine active site. YILiKNSWgtgWGenGYIrI

Chain	Residue	Details
A	TYR170-ILE189

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10088, ECO:0000269|PubMed:5681232, ECO:0000269|PubMed:6502713, ECO:0000269|PubMed:952885, ECO:0000305|PubMed:1860874, ECO:0007744|PDB:1PAD, ECO:0007744|PDB:9PAP

Chain	Residue	Details
A	CYS25

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site_id	SWS_FT_FI2
Number of Residues	1
Details	ACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10089, ECO:0000269|PubMed:6502713, ECO:0000269|PubMed:952885, ECO:0007744|PDB:1PAD, ECO:0007744|PDB:9PAP

Chain	Residue	Details
A	HIS159

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site_id	SWS_FT_FI3
Number of Residues	1
Details	ACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10090, ECO:0000269|PubMed:5681232, ECO:0000269|PubMed:6502713, ECO:0000269|PubMed:952885, ECO:0007744|PDB:1PAD, ECO:0007744|PDB:9PAP

Chain	Residue	Details
A	ASN175

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site_id	SWS_FT_FI4
Number of Residues	1
Details	BINDING: covalent => ECO:0000269|PubMed:8416808, ECO:0007744|PDB:1POP

Chain	Residue	Details
A	CYS25

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 174

Chain	Residue	Details
A	GLN19	electrostatic stabiliser, hydrogen bond donor
A	CYS25	electrostatic stabiliser
A	HIS159	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	ASN175	activator, electrostatic stabiliser, hydrogen bond acceptor

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