3GCD

Structure of the V. cholerae RTX cysteine protease domain in complex with an aza-Leucine peptide inhibitor

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	BINDING SITE FOR RESIDUE AZ0 A 213

Chain	Residue
A	VAL43
A	LEU175
A	ALA176
A	VAL177
A	HIS184
A	HOH220
A	ALA47
A	ASN50
A	GLY90
A	HIS91
A	GLY92
A	VAL138
A	CYS140
A	GLU174

---

site_id	AC2
Number of Residues	22
Details	BINDING SITE FOR RESIDUE IHP A 214

Chain	Residue
A	GLU27
A	THR28
A	ARG29
A	PHE30
A	LYS54
A	HIS55
A	ARG85
A	SER136
A	SER169
A	ARG171
A	ARG182
A	LYS183
A	LYS195
A	LYS200
A	NA215
A	HOH221
A	HOH223
A	HOH229
A	HOH230
A	HOH249
A	HOH251
A	HOH253

---

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA A 215

Chain	Residue
A	GLU27
A	IHP214
A	HOH252

---

site_id	AC4
Number of Residues	13
Details	BINDING SITE FOR RESIDUE AZ0 B 213

Chain	Residue
A	HIS95
B	VAL43
B	ALA47
B	ASN50
B	GLY90
B	HIS91
B	GLY92
B	CYS140
B	LEU175
B	ALA176
B	VAL177
B	TRP192
B	HOH240

---

site_id	AC5
Number of Residues	15
Details	BINDING SITE FOR RESIDUE IHP B 214

Chain	Residue
B	GLU27
B	THR28
B	ARG29
B	LYS54
B	HIS55
B	ARG85
B	HIS134
B	SER136
B	SER169
B	ARG171
B	ARG182
B	LYS183
B	LYS195
B	LYS200
B	NA215

---

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA B 215

Chain	Residue
B	GLU27
B	IHP214

---

site_id	AC7
Number of Residues	21
Details	BINDING SITE FOR RESIDUE AZ0 C 213

Chain	Residue
B	ASP109
B	ASN157
B	ALA158
C	LYS4
C	VAL43
C	LYS46
C	ALA47
C	ASN50
C	GLY90
C	HIS91
C	GLY92
C	VAL138
C	CYS140
C	GLU174
C	LEU175
C	ALA176
C	VAL177
C	TRP192
C	HOH230
C	HOH244
D	ARG165

---

site_id	AC8
Number of Residues	19
Details	BINDING SITE FOR RESIDUE IHP C 214

Chain	Residue
C	ARG182
C	LYS183
C	LYS195
C	LYS200
C	NA215
C	HOH217
C	HOH219
C	HOH220
C	HOH235
C	HOH254
C	GLU27
C	THR28
C	ARG29
C	LYS54
C	HIS55
C	ARG85
C	SER136
C	SER169
C	ARG171

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA C 215

Chain	Residue
C	GLU27
C	IHP214
C	HOH240
C	HOH254

---

site_id	BC1
Number of Residues	16
Details	BINDING SITE FOR RESIDUE AZ0 D 213

Chain	Residue
D	LYS4
D	VAL43
D	ALA47
D	ASN50
D	GLY90
D	HIS91
D	GLY92
D	HIS95
D	GLU97
D	ASN100
D	CYS140
D	LEU175
D	ALA176
D	VAL177
D	TRP192
D	HOH227

---

site_id	BC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE IHP D 214

Chain	Residue
D	THR28
D	ARG29
D	LYS54
D	HIS55
D	ARG85
D	SER136
D	SER169
D	ARG171
D	ARG182
D	LYS183
D	LYS195
D	LYS200
D	NA215
D	HOH218

---

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA D 215

Chain	Residue
D	GLU27
D	IHP214

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	736
Details	Domain: {"description":"Peptidase C80","evidences":[{"source":"PROSITE-ProRule","id":"PRU01107","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"For cysteine protease activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU01107","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"17698571","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Active site: {"description":"Nucleophile; for cysteine protease activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU01107","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"17698571","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	40
Details	Binding site: {"evidences":[{"source":"PubMed","id":"18845756","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19465933","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19620709","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3EEB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3FZY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GCD","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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