3G76

Crystal structure of XIAP-BIR3 in complex with a bivalent compound

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 502

Chain	Residue
A	CYS300
A	CYS303
A	HIS320
A	CYS327

---

site_id	AC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE CZ3 A 600

Chain	Residue
A	THR308
A	ASP309
A	TRP310
A	GLU314
A	GLN319
A	TRP323
A	TYR324
D	PHE270
E	HOH468
A	HOH90
A	LEU292
A	VAL298
A	GLY306
A	LEU307

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 502

Chain	Residue
B	CYS300
B	CYS303
B	HIS320
B	CYS327

---

site_id	AC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE CZ3 B 600

Chain	Residue
B	LEU292
B	LYS297
B	VAL298
B	GLY306
B	LEU307
B	THR308
B	GLU314
B	GLN319
B	TRP323
B	TYR324
D	CZ3600

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 502

Chain	Residue
C	CYS300
C	CYS303
C	HIS320
C	CYS327

---

site_id	AC6
Number of Residues	14
Details	BINDING SITE FOR RESIDUE CZ3 C 600

Chain	Residue
B	PHE270
C	HOH107
C	LEU292
C	LYS297
C	VAL298
C	GLY306
C	LEU307
C	THR308
C	ASP309
C	TRP310
C	GLU314
C	GLN319
C	TRP323
C	TYR324

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 502

Chain	Residue
D	CYS300
D	CYS303
D	HIS320
D	CYS327

---

site_id	AC8
Number of Residues	12
Details	BINDING SITE FOR RESIDUE CZ3 D 600

Chain	Residue
B	CZ3600
D	HOH49
D	HOH69
D	LEU292
D	GLY306
D	LEU307
D	THR308
D	ASP309
D	GLU314
D	GLN319
D	TRP323
D	TYR324

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN E 502

Chain	Residue
E	CYS300
E	CYS303
E	HIS320
E	CYS327

---

site_id	BC1
Number of Residues	15
Details	BINDING SITE FOR RESIDUE CZ3 E 600

Chain	Residue
E	HOH1
E	HOH22
E	VAL298
E	LYS299
E	GLY306
E	LEU307
E	THR308
E	ASP309
E	LYS311
E	GLU314
E	GLN319
E	TRP323
E	TYR324
E	HOH413
H	PHE270

---

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN F 502

Chain	Residue
F	CYS300
F	CYS303
F	HIS320
F	CYS327

---

site_id	BC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE CZ3 F 600

Chain	Residue
F	TYR324
F	ARG354
H	ASP309
H	CZ3600
F	LYS297
F	GLY306
F	LEU307
F	THR308
F	ASP309
F	TRP310
F	GLU314
F	GLN319
F	TRP323

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN G 502

Chain	Residue
G	CYS300
G	CYS303
G	HIS320
G	CYS327

---

site_id	BC5
Number of Residues	14
Details	BINDING SITE FOR RESIDUE CZ3 G 600

Chain	Residue
E	HOH446
F	PHE270
G	HOH24
G	LYS297
G	VAL298
G	GLY306
G	LEU307
G	THR308
G	ASP309
G	LYS311
G	GLU314
G	GLN319
G	TRP323
G	TYR324

---

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN H 502

Chain	Residue
H	CYS300
H	CYS303
H	HIS320
H	CYS327

---

site_id	BC7
Number of Residues	14
Details	BINDING SITE FOR RESIDUE CZ3 H 600

Chain	Residue
F	HOH140
F	ASP309
F	CZ3600
H	HOH14
H	LYS297
H	GLY306
H	LEU307
H	THR308
H	ASP309
H	LYS311
H	GLU314
H	GLN319
H	TRP323
H	TYR324

---

Functional Information from PROSITE/UniProt

site_id	PS01282
Number of Residues	66
Details	BIR_REPEAT_1 BIR repeat. YeaRiftfgt.Wiysvnkeqlar...AGFyAlgegDkvkCfhCgggltdWkpsedpweqHakwyPgCkyL

Chain	Residue	Details
A	TYR265-LEU330

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	32
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00029

Chain	Residue	Details
A	CYS300
A	CYS303
A	HIS320
A	CYS327
B	CYS300
B	CYS303
B	HIS320
B	CYS327
C	CYS300
C	CYS303
C	HIS320
C	CYS327
D	CYS300
D	CYS303
D	HIS320
D	CYS327
E	CYS300
E	CYS303
E	HIS320
E	CYS327
F	CYS300
F	CYS303
F	HIS320
F	CYS327
G	CYS300
G	CYS303
G	HIS320
G	CYS327
H	CYS300
H	CYS303
H	HIS320
H	CYS327

---

site_id	SWS_FT_FI2
Number of Residues	24
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:12747801

Chain	Residue	Details
A	LYS322
A	LYS328
B	LYS322
B	LYS328
F	LYS328
G	LYS322
G	LYS328
H	LYS322
H	LYS328
C	LYS322
C	LYS328
D	LYS322
D	LYS328
E	LYS322
E	LYS328
F	LYS322

---