3CM2

Crystal Structure of XIAP BIR3 domain in complex with a Smac-mimetic compound, Smac010

Functional Information from PDB Data

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

Chain	Residue
D	CYS300
D	CYS303
D	HIS320
D	CYS327

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 502

Chain	Residue
A	CYS300
A	CYS303
A	HIS320
A	CYS327

---

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

Chain	Residue
B	CYS303
B	HIS320
B	CYS327
B	CYS300

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 502

Chain	Residue
C	CYS300
C	CYS303
C	HIS320
C	CYS327

---

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

Chain	Residue
E	CYS300
E	CYS303
E	HIS320
E	CYS327

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN F 502

Chain	Residue
F	CYS300
F	CYS303
F	HIS320
F	CYS327

---

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

Chain	Residue
G	CYS300
G	CYS303
G	HIS320
G	CYS327

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN H 502

Chain	Residue
H	CYS300
H	CYS303
H	HIS320
H	CYS327

---

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

Chain	Residue
I	CYS300
I	CYS303
I	HIS320
I	CYS327

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN J 502

Chain	Residue
J	CYS300
J	CYS303
J	HIS320
J	CYS327

---

site_id	BC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE X23 D 600

Chain	Residue
D	LEU292
D	LYS297
D	GLY306
D	LEU307
D	THR308
D	ASP309
D	TRP310
D	GLU314
D	GLN319
D	TRP323
H	GLU349
H	LEU352

---

site_id	BC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE X23 A 600

Chain	Residue
A	LEU292
A	LYS297
A	LYS299
A	GLY306
A	LEU307
A	THR308
A	ASP309
A	GLU314
A	GLN319
A	TRP323
B	GLU349
B	LEU352

---

site_id	BC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE X23 B 600

Chain	Residue
B	LEU292
B	LYS297
B	GLY306
B	LEU307
B	THR308
B	ASP309
B	TRP310
B	GLU314
B	GLN319
B	TRP323
F	GLU349
F	LEU352

---

site_id	BC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE X23 C 600

Chain	Residue
C	LEU292
C	LYS297
C	GLY306
C	LEU307
C	THR308
C	ASP309
C	TRP310
C	GLU314
C	TRP323
G	GLU349
G	LEU352

---

site_id	BC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE X23 E 600

Chain	Residue
E	LEU292
E	LYS297
E	GLY306
E	LEU307
E	THR308
E	ASP309
E	TRP310
E	GLU314
E	GLN319
E	TRP323
I	GLU349
I	LEU352

---

site_id	BC7
Number of Residues	13
Details	BINDING SITE FOR RESIDUE X23 F 600

Chain	Residue
C	HIS346
C	GLU349
C	LEU352
F	LEU292
F	LYS297
F	GLY306
F	LEU307
F	THR308
F	ASP309
F	TRP310
F	GLU314
F	GLN319
F	TRP323

---

site_id	BC8
Number of Residues	13
Details	BINDING SITE FOR RESIDUE X23 G 600

Chain	Residue
A	HIS346
A	GLU349
A	LEU352
G	LEU292
G	LYS297
G	GLY306
G	LEU307
G	THR308
G	ASP309
G	TRP310
G	GLU314
G	GLN319
G	TRP323

---

site_id	BC9
Number of Residues	12
Details	BINDING SITE FOR RESIDUE X23 H 600

Chain	Residue
H	LEU292
H	LYS297
H	GLY306
H	LEU307
H	THR308
H	ASP309
H	TRP310
H	GLU314
H	GLN319
H	TRP323
J	GLU349
J	LEU352

---

site_id	CC1
Number of Residues	13
Details	BINDING SITE FOR RESIDUE X23 I 600

Chain	Residue
D	GLU349
D	LEU352
I	LEU292
I	LYS297
I	LYS299
I	GLY306
I	LEU307
I	THR308
I	ASP309
I	TRP310
I	GLU314
I	GLN319
I	TRP323

---

site_id	CC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE X23 J 600

Chain	Residue
E	HIS346
E	GLU349
E	LEU352
J	LYS297
J	GLY306
J	LEU307
J	THR308
J	ASP309
J	TRP310
J	GLU314
J	GLN319
J	TRP323

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
D	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

---