Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

9PAP

STRUCTURE OF PAPAIN REFINED AT 1.65 ANGSTROMS RESOLUTION

Replaces: 3PADReplaces: 8PAPReplaces: 1PAPReplaces: 4PAP

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	4
Details	BINDING SITE FOR RESIDUE MOH A 214

Chain	Residue
A	TYR78
A	LYS106
A	HOH341
A	HOH432

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MOH A 215

Chain	Residue
A	LEU143
A	ARG145
A	GLY146

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MOH A 216

Chain	Residue
A	ILE40
A	ARG41

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MOH A 217

Chain	Residue
A	ALA126
A	ASN127

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MOH A 218

Chain	Residue
A	SER97
A	GLY101
A	TYR103

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MOH A 219

Chain	Residue
A	CYS153
A	GLY154
A	CYS200
A	HOH299
A	HOH413

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MOH A 220

Chain	Residue
A	SER124
A	ASN127
A	GLN128

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MOH A 221

Chain	Residue
A	OCS25
A	GLY65
A	GLY66

site_id	AC9
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MOH A 222

Chain	Residue
A	HOH383

site_id	ACT
Number of Residues	2
Details

Chain	Residue
A	HIS159
A	ASN175

site_id	BC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MOH A 223

Chain	Residue
A	ARG145
A	GLY194

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MOH A 224

Chain	Residue
A	ARG111
A	GLN112
A	HOH336

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MOH A 225

Chain	Residue
A	PRO68
A	HOH282

site_id	BC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MOH A 227

Chain	Residue
A	HOH363

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MOH A 228

Chain	Residue
A	ASP140
A	GLY151
A	PRO152
A	HOH390

site_id	BC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MOH A 229

Chain	Residue
A	PRO15
A	HOH379

site_id	BC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MOH A 230

Chain	Residue
A	GLY20
A	SER21
A	HOH414

site_id	BC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MOH A 231

Chain	Residue
A	TYR78

site_id	BC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MOH A 232

Chain	Residue
A	ASN18
A	GLY20

site_id	CC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MOH A 233

Chain	Residue
A	ARG188
A	MOH235
A	HOH404

site_id	CC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MOH A 234

Chain	Residue
A	ASN64

site_id	CC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MOH A 235

Chain	Residue
A	GLY147
A	GLU183
A	ARG188
A	MOH233

site_id	CC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MOH A 236

Chain	Residue
A	TYR208

site_id	CC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MOH A 237

Chain	Residue
A	THR42
A	ASN44
A	ASN46
A	TYR82
A	HOH287
A	HOH328

site_id	CC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MOH A 238

Chain	Residue
A	TYR82
A	HOH416

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MOH A 239

Chain	Residue
A	ILE37
A	ARG41
A	ASN127
A	GLN128
A	HOH388

site_id	CC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MOH A 240

Chain	Residue
A	TYR116
A	SER196

site_id	CC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MOH A 241

Chain	Residue
A	GLN142
A	HOH381

site_id	DC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MOH A 242

Chain	Residue
A	ARG59
A	TYR61
A	TYR67

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

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

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

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10088","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"5681232","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"6502713","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"952885","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"1860874","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"1PAD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"9PAP","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10089","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"6502713","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"952885","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1PAD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"9PAP","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	1
Details	Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10090","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"5681232","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"6502713","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"952885","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1PAD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"9PAP","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	1
Details	Binding site: {"description":"covalent","evidences":[{"source":"PubMed","id":"8416808","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1POP","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	a catalytic site defined by CSA, PubMed 7920263, 7845227, 9233788

Chain	Residue	Details
A	ASN175
A	GLN19
A	OCS25
A	HIS159

site_id	CSA2
Number of Residues	4
Details	a catalytic site defined by CSA, PubMed 7920263, 7845227, 9233788

Chain	Residue	Details
A	ASN175
A	GLN19
A	OCS25
A	HIS159

site_id	MCSA1
Number of Residues	4
Details	M-CSA 174

Chain	Residue	Details
A	GLN19	electrostatic stabiliser, hydrogen bond donor
A	ALA27	electrostatic stabiliser
A	ALA163	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	THR179	activator, electrostatic stabiliser, hydrogen bond acceptor

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)