4EC4

XIAP-BIR3 in complex with a potent divalent Smac mimetic

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 401

Chain	Residue
A	CYS300
A	CYS303
A	HIS320
A	CYS327

---

site_id	AC2
Number of Residues	25
Details	BINDING SITE FOR RESIDUE 0O6 A 402

Chain	Residue
A	ASP309
A	TRP310
A	LYS311
A	GLU314
A	GLN319
A	TRP323
F	ARG248
F	ASN249
F	LEU292
F	LYS297
F	GLY306
F	LEU307
F	THR308
F	ASP309
F	TRP310
F	LYS311
F	GLU314
F	GLN319
F	TRP323
F	TYR324
A	ASN249
A	LYS297
A	GLY306
A	LEU307
A	THR308

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE P33 A 403

Chain	Residue
A	TRP323
A	PRO325
A	HIS343
F	TRP323
F	PRO325
F	HIS343

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 401

Chain	Residue
B	CYS300
B	CYS303
B	HIS320
B	CYS327

---

site_id	AC5
Number of Residues	22
Details	BINDING SITE FOR RESIDUE 0O6 B 402

Chain	Residue
B	ASN249
B	GLY306
B	LEU307
B	THR308
B	ASP309
B	TRP310
B	GLU314
B	GLN319
B	TRP323
B	TYR324
G	ASN249
G	LEU292
G	GLY306
G	LEU307
G	THR308
G	ASP309
G	TRP310
G	LYS311
G	GLU314
G	GLN319
G	TRP323
G	TYR324

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 401

Chain	Residue
C	CYS300
C	CYS303
C	HIS320
C	CYS327

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 401

Chain	Residue
D	CYS300
D	CYS303
D	HIS320
D	CYS327

---

site_id	AC8
Number of Residues	20
Details	BINDING SITE FOR RESIDUE 0O6 D 402

Chain	Residue
D	ASN249
D	GLY306
D	LEU307
D	THR308
D	ASP309
D	GLU314
D	GLN319
D	TRP323
D	TYR324
K	ASN249
K	LEU292
K	GLY306
K	LEU307
K	THR308
K	ASP309
K	TRP310
K	GLU314
K	GLN319
K	TRP323
K	TYR324

---

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE P33 D 403

Chain	Residue
D	TRP323
D	ASN340
K	TRP323

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN E 401

Chain	Residue
E	CYS300
E	CYS303
E	HIS320
E	CYS327

---

site_id	BC2
Number of Residues	20
Details	BINDING SITE FOR RESIDUE 0O6 E 402

Chain	Residue
E	LEU307
E	THR308
E	ASP309
E	GLU314
E	GLN319
E	TRP323
E	TYR324
L	ASN249
L	GLY306
L	LEU307
L	THR308
L	ASP309
L	TRP310
L	GLU314
L	GLN319
L	TRP323
L	TYR324
E	ASN249
E	LYS299
E	GLY306

---

site_id	BC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 2PE E 403

Chain	Residue
E	TRP323
E	ASN340
E	HIS343
E	SER347
L	SER253
L	TRP323
L	HIS343

---

site_id	BC4
Number of Residues	22
Details	BINDING SITE FOR RESIDUE 0O6 J 401

Chain	Residue
C	ASN249
C	LEU292
C	GLY306
C	LEU307
C	THR308
C	ASP309
C	TRP310
C	LYS311
C	GLU314
C	GLN319
C	TRP323
C	TYR324
J	ASN249
J	GLY306
J	LEU307
J	THR308
J	ASP309
J	GLU314
J	GLN319
J	TRP323
J	TYR324
J	P33403

---

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN J 402

Chain	Residue
J	CYS300
J	CYS303
J	HIS320
J	CYS327

---

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE P33 J 403

Chain	Residue
C	TRP323
J	ASN340
J	HIS343
J	LEU344
J	0O6401

---

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN F 401

Chain	Residue
F	CYS300
F	CYS303
F	HIS320
F	CYS327

---

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN G 401

Chain	Residue
G	CYS300
G	CYS303
G	HIS320
G	CYS327

---

site_id	BC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 2PE G 402

Chain	Residue
B	TRP323
B	PRO325
B	HIS343
G	TRP323
G	PRO325
G	ASN340
G	LEU344

---

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN K 401

Chain	Residue
K	CYS300
K	CYS303
K	HIS320
K	CYS327

---

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN L 401

Chain	Residue
L	CYS300
L	CYS303
L	HIS320
L	CYS327

---

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	650
Details	Repeat: {"description":"BIR 3"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	150
Details	Region: {"description":"Required for interaction with SEPTIN4 isoform ARTS","evidences":[{"source":"PubMed","id":"21695558","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	210
Details	Region: {"description":"Required for interaction with DIABLO","evidences":[{"source":"PubMed","id":"21695558","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	40
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00029","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	30
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"12747801","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---