Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6UVG

Crystal structure of BCL-XL bound to compound 13: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0042981	biological_process	regulation of apoptotic process
B	0042981	biological_process	regulation of apoptotic process
C	0042981	biological_process	regulation of apoptotic process
D	0042981	biological_process	regulation of apoptotic process
E	0042981	biological_process	regulation of apoptotic process
F	0042981	biological_process	regulation of apoptotic process
G	0042981	biological_process	regulation of apoptotic process
H	0042981	biological_process	regulation of apoptotic process
I	0042981	biological_process	regulation of apoptotic process
J	0042981	biological_process	regulation of apoptotic process
K	0042981	biological_process	regulation of apoptotic process
L	0042981	biological_process	regulation of apoptotic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	10
Details	binding site for residue QHP A 301

Chain	Residue
A	ALA93
A	HOH433
A	PHE97
A	TYR101
A	ALA104
A	PHE105
A	LEU130
A	ASN136
A	GLY138
A	LEU194

site_id	AC2
Number of Residues	3
Details	binding site for residue SO4 A 302

Chain	Residue
A	LYS20
B	ARG102
G	LYS20

site_id	AC3
Number of Residues	1
Details	binding site for residue EDO A 303

Chain	Residue
A	SER25

site_id	AC4
Number of Residues	11
Details	binding site for residue QHP B 301

Chain	Residue
B	ALA93
B	PHE97
B	TYR101
B	ALA104
B	PHE105
B	LEU130
B	ASN136
B	GLY138
B	ARG139
B	LEU194
B	HOH406

site_id	AC5
Number of Residues	5
Details	binding site for residue SO4 B 302

Chain	Residue
B	ARG100
B	TYR101
B	ARG102
B	ARG103
B	ALA104

site_id	AC6
Number of Residues	19
Details	binding site for residue QHP C 301

Chain	Residue
C	ALA93
C	GLU96
C	PHE97
C	ARG100
C	TYR101
C	ALA104
C	PHE105
C	LEU130
C	ASN136
C	GLY138
C	ARG139
C	ALA142
C	LEU194
C	HOH401
C	HOH411
K	THR118
K	ALA119
K	TYR120
K	GLN121

site_id	AC7
Number of Residues	5
Details	binding site for residue SO4 C 302

Chain	Residue
C	ARG91
D	SER14
D	ALA84
D	GLN88
D	ARG91

site_id	AC8
Number of Residues	10
Details	binding site for residue QHP D 301

Chain	Residue
D	ALA93
D	PHE97
D	TYR101
D	ALA104
D	PHE105
D	LEU108
D	ASN136
D	GLY138
D	ARG139
D	LEU194

site_id	AC9
Number of Residues	6
Details	binding site for residue SO4 D 302

Chain	Residue
C	SER14
C	ALA84
C	GLN88
C	ARG91
D	ASP11
D	ARG91

site_id	AD1
Number of Residues	15
Details	binding site for residue QHP E 301

Chain	Residue
C	ALA119
C	TYR120
C	GLN121
E	ALA93
E	PHE97
E	ARG100
E	TYR101
E	ALA104
E	PHE105
E	LEU130
E	ASN136
E	GLY138
E	ARG139
E	HOH404
E	HOH412

site_id	AD2
Number of Residues	4
Details	binding site for residue EDO E 302

Chain	Residue
E	SER25
E	GLN26
E	MET83
E	HOH403

site_id	AD3
Number of Residues	12
Details	binding site for residue QHP F 301

Chain	Residue
F	LEU194
F	TYR195
F	ALA93
F	GLU96
F	TYR101
F	ALA104
F	PHE105
F	LEU108
F	LEU130
F	ASN136
F	GLY138
F	ARG139

site_id	AD4
Number of Residues	13
Details	binding site for residue QHP G 301

Chain	Residue
G	ALA93
G	GLU96
G	PHE97
G	TYR101
G	ALA104
G	PHE105
G	LEU108
G	LEU130
G	ASN136
G	GLY138
G	LEU194
G	TYR195
G	HOH401

site_id	AD5
Number of Residues	3
Details	binding site for residue EDO G 302

Chain	Residue
G	ARG91
H	SER18
H	GLN88

site_id	AD6
Number of Residues	3
Details	binding site for residue EDO G 303

Chain	Residue
G	ASP95
G	GLU98
H	LYS16

site_id	AD7
Number of Residues	14
Details	binding site for residue QHP H 301

Chain	Residue
H	ALA93
H	PHE97
H	TYR101
H	ALA104
H	PHE105
H	LEU130
H	ASN136
H	GLY138
H	ARG139
H	LEU194
H	EDO303
H	HOH402
J	PRO116
J	GLY117

site_id	AD8
Number of Residues	1
Details	binding site for residue SO4 H 302

Chain	Residue
A	ARG102

site_id	AD9
Number of Residues	2
Details	binding site for residue EDO H 303

Chain	Residue
H	ARG139
H	QHP301

site_id	AE1
Number of Residues	6
Details	binding site for residue QHP I 301

Chain	Residue
I	ALA93
I	PHE97
I	TYR101
I	ALA104
I	ASN136
I	GLY138

site_id	AE2
Number of Residues	10
Details	binding site for residue QHP J 301

Chain	Residue
J	ALA93
J	GLU96
J	PHE97
J	TYR101
J	ALA104
J	PHE105
J	ASN136
J	GLY138
J	ARG139
J	ALA142

site_id	AE3
Number of Residues	1
Details	binding site for residue SO4 J 302

Chain	Residue
J	LYS20

site_id	AE4
Number of Residues	10
Details	binding site for residue QHP K 301

Chain	Residue
K	ALA93
K	PHE97
K	TYR101
K	ALA104
K	PHE105
K	LEU130
K	ASN136
K	TRP137
K	GLY138
K	ALA142

site_id	AE5
Number of Residues	2
Details	binding site for residue SO4 K 302

Chain	Residue
K	ARG102
L	LYS20

site_id	AE6
Number of Residues	6
Details	binding site for residue QHP L 301

Chain	Residue
L	ALA93
L	PHE97
L	TYR101
L	ASN136
L	TRP137
L	GLY138

site_id	AE7
Number of Residues	2
Details	binding site for residue SO4 L 302

Chain	Residue
K	LYS20
L	ARG102

Functional Information from PROSITE/UniProt

site_id	PS01080
Number of Residues	19
Details	BH1 Apoptosis regulator, Bcl-2 family BH1 motif signature. LFrDGv.NWGRIVAFFsFGG

Chain	Residue	Details
A	LEU130-GLY148

site_id	PS01258
Number of Residues	12
Details	BH2 Apoptosis regulator, Bcl-2 family BH2 motif signature. WIqenGGWDtFV

Chain	Residue	Details
A	TRP181-VAL192

site_id	PS01259
Number of Residues	15
Details	BH3 Apoptosis regulator, Bcl-2 family BH3 motif signature. VkqaLReAGDEFELR

Chain	Residue	Details
A	VAL86-ARG100

site_id	PS01260
Number of Residues	21
Details	BH4_1 Apoptosis regulator, Bcl-2 family BH4 motif signature. SNRELVvDFLSYKLSQKGYsW

Chain	Residue	Details
A	SER4-TRP24

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	SITE: Cleavage; by caspase-1

Chain	Residue	Details
A	GLY117
J	GLY117
K	GLY117
L	GLY117
B	GLY117
C	GLY117
D	GLY117
E	GLY117
F	GLY117
G	GLY117
H	GLY117
I	GLY117

site_id	SWS_FT_FI2
Number of Residues	12
Details	MOD_RES: Phosphoserine; by PLK3 => ECO:0000269\|PubMed:21840391

Chain	Residue	Details
A	PHE105
J	PHE105
K	PHE105
L	PHE105
B	PHE105
C	PHE105
D	PHE105
E	PHE105
F	PHE105
G	PHE105
H	PHE105
I	PHE105

site_id	SWS_FT_FI3
Number of Residues	12
Details	MOD_RES: Phosphoserine; by CDK1 => ECO:0000269\|PubMed:19917720

Chain	Residue	Details
A	THR118
J	THR118
K	THR118
L	THR118
B	THR118
C	THR118
D	THR118
E	THR118
F	THR118
G	THR118
H	THR118
I	THR118

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)