6H8T

Crystal structure of Papain modify by achiral Ru(II)complex

Replaces:  4KP9

Functional Information from GO Data

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	2
Details	binding site for residue ACT A 301

Chain	Residue
A	ASN84
A	HOH408

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site_id	AC2
Number of Residues	4
Details	binding site for residue CL A 302

Chain	Residue
A	ARG93
A	TYR94
A	ASN169
A	LYS190

---

site_id	AC3
Number of Residues	3
Details	binding site for residue ACT A 303

Chain	Residue
A	ASN18
A	GLY20
A	HOH426

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site_id	AC4
Number of Residues	2
Details	binding site for residue ACT A 304

Chain	Residue
A	TXY67
A	HOH422

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site_id	AC5
Number of Residues	7
Details	binding site for residue YXZ A 305

Chain	Residue
A	TYR61
A	OMX61
A	GLY65
A	GLY66
A	TYR67
J	PRO115
J	TYR116

---

site_id	AC6
Number of Residues	9
Details	binding site for residue SO4 J 302

Chain	Residue
A	GLN73
A	GLY109
A	VAL110
A	ARG111
J	GLY109
J	VAL110
J	ARG111
J	HOH423
J	HOH457

---

site_id	AC7
Number of Residues	3
Details	binding site for residue ACT J 303

Chain	Residue
J	VAL157
J	HOH489
J	HOH498

---

site_id	AC8
Number of Residues	4
Details	binding site for residue ACT J 304

Chain	Residue
J	TYR116
J	TYR197
J	NA305
J	HOH511

---

site_id	AC9
Number of Residues	2
Details	binding site for residue NA J 305

Chain	Residue
J	SER196
J	ACT304

---

site_id	AD1
Number of Residues	6
Details	binding site for residue ACT J 306

Chain	Residue
A	ALA137
A	GLY138
A	LYS139
J	TYR103
J	ALA105
J	HOH488

---

site_id	AD2
Number of Residues	2
Details	binding site for residue ACT J 307

Chain	Residue
J	ASN64
J	HOH478

---

site_id	AD3
Number of Residues	3
Details	binding site for residue ACT J 308

Chain	Residue
J	ARG58
J	ARG145
J	HOH406

---

site_id	AD4
Number of Residues	7
Details	binding site for residue ACT J 309

Chain	Residue
J	ARG8
J	TYR61
J	LEU172
J	GLU183
J	ARG188
J	YXX301
J	HOH484

---

site_id	AD5
Number of Residues	17
Details	binding site for Di-peptide YXX J 301 and CYS J 25

Chain	Residue
A	PRO115
A	TYR116
J	GLN19
J	GLY23
J	SER24
J	TRP26
J	ALA27
J	PHE28
J	SER29
J	TYR61
J	GLY65
J	GLY66
J	TYR67
J	ASP158
J	HIS159
J	ALA160
J	ACT309

---

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	2
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
J	CYS25

---

site_id	SWS_FT_FI2
Number of Residues	2
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
J	HIS159

---

site_id	SWS_FT_FI3
Number of Residues	2
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
J	ASN175

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	BINDING: covalent => ECO:0000269|PubMed:8416808, ECO:0007744|PDB:1POP

Chain	Residue	Details
A	CYS25
J	CYS25

---

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

---

site_id	MCSA2
Number of Residues	4
Details	M-CSA 174

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

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