Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4TUH

Bcl-xL in complex with inhibitor (Compound 10)

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	22
Details	binding site for residue 38H A 301

Chain	Residue
A	ALA93
A	LEU130
A	ASN136
A	GLY138
A	ARG139
A	ALA142
A	SER145
A	PHE146
A	ALA149
A	TYR195
A	HOH402
A	GLU96
A	HOH406
A	HOH412
A	HOH492
A	PHE97
A	TYR101
A	ARG102
A	PHE105
A	SER106
A	ASP107
A	LEU108

site_id	AC2
Number of Residues	4
Details	binding site for residue EDO A 302

Chain	Residue
A	GLU184
H	ASN136
H	TYR195
H	38H301

site_id	AC3
Number of Residues	4
Details	binding site for residue EDO A 303

Chain	Residue
A	GLN26
A	ASP189
A	HOH428
A	HOH497

site_id	AC4
Number of Residues	3
Details	binding site for residue EDO A 304

Chain	Residue
A	GLN183
A	GLU184
H	ASN136

site_id	AC5
Number of Residues	5
Details	binding site for residue EDO A 305

Chain	Residue
A	TRP181
A	ASN185
H	TYR195
H	38H301
H	HOH419

site_id	AC6
Number of Residues	3
Details	binding site for residue EDO A 306

Chain	Residue
A	ASN136
A	TRP137
A	TYR195

site_id	AC7
Number of Residues	5
Details	binding site for residue EDO A 307

Chain	Residue
A	VAL135
A	TYR173
A	HIS177
A	HOH452
A	HOH486

site_id	AC8
Number of Residues	2
Details	binding site for residue EDO A 308

Chain	Residue
A	TRP24
B	VAL163

site_id	AC9
Number of Residues	20
Details	binding site for residue 38H B 301

Chain	Residue
B	ALA93
B	GLU96
B	PHE97
B	TYR101
B	ARG102
B	PHE105
B	SER106
B	ASP107
B	LEU108
B	GLU129
B	LEU130
B	ASN136
B	GLY138
B	ARG139
B	SER145
B	PHE146
B	ALA149
B	LEU194
B	TYR195
B	HOH406

site_id	AD1
Number of Residues	5
Details	binding site for residue ACT B 302

Chain	Residue
A	ALA167
B	ARG6
B	HOH431
B	HOH438
F	HOH434

site_id	AD2
Number of Residues	25
Details	binding site for residue 38H C 301

Chain	Residue
C	ALA93
C	GLU96
C	PHE97
C	TYR101
C	ARG102
C	PHE105
C	SER106
C	ASP107
C	LEU108
C	THR109
C	LEU130
C	ASN136
C	GLY138
C	ARG139
C	SER145
C	PHE146
C	ALA149
C	TYR195
C	HOH401
C	HOH404
C	HOH468
H	LYS157
H	GLU158
H	HOH401
H	HOH405

site_id	AD3
Number of Residues	6
Details	binding site for residue EDO C 302

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

site_id	AD4
Number of Residues	3
Details	binding site for residue EDO C 303

Chain	Residue
C	SER0
C	SER2
G	TRP24

site_id	AD5
Number of Residues	4
Details	binding site for residue EDO C 304

Chain	Residue
C	GLN26
C	MET83
C	VAL86
D	MET1

site_id	AD6
Number of Residues	22
Details	binding site for residue 38H D 301

Chain	Residue
D	ALA93
D	GLU96
D	PHE97
D	TYR101
D	PHE105
D	SER106
D	ASP107
D	LEU108
D	LEU130
D	ASN136
D	GLY138
D	ARG139
D	ALA142
D	SER145
D	PHE146
D	ALA149
D	LEU194
D	TYR195
D	HOH403
D	HOH435
D	HOH462
D	HOH485

site_id	AD7
Number of Residues	24
Details	binding site for residue 38H E 301

Chain	Residue
E	ALA93
E	GLU96
E	PHE97
E	TYR101
E	ARG102
E	PHE105
E	SER106
E	ASP107
E	LEU108
E	GLU129
E	LEU130
E	ASN136
E	GLY138
E	ARG139
E	SER145
E	PHE146
E	ALA149
E	LEU194
E	TYR195
E	HOH410
E	HOH466
E	HOH477
E	HOH505
H	ALA104

site_id	AD8
Number of Residues	19
Details	binding site for residue 38H F 301

Chain	Residue
F	ALA93
F	GLU96
F	PHE97
F	TYR101
F	ARG102
F	PHE105
F	SER106
F	ASP107
F	LEU108
F	LEU130
F	ASN136
F	GLY138
F	ARG139
F	SER145
F	PHE146
F	ALA149
F	TYR195
F	HOH482
F	HOH500

site_id	AD9
Number of Residues	6
Details	binding site for residue EDO F 302

Chain	Residue
E	SER164
F	TRP24
F	HOH435
F	HOH438
F	HOH452
F	HOH490

site_id	AE1
Number of Residues	21
Details	binding site for residue 38H G 301

Chain	Residue
G	ALA93
G	GLU96
G	PHE97
G	TYR101
G	ARG102
G	PHE105
G	SER106
G	ASP107
G	LEU108
G	THR109
G	GLU129
G	LEU130
G	ASN136
G	GLY138
G	ARG139
G	SER145
G	PHE146
G	ALA149
G	LEU194
G	TYR195
G	HOH404

site_id	AE2
Number of Residues	4
Details	binding site for residue EDO G 302

Chain	Residue
C	GLN3
G	ARG6
G	VAL10
G	TRP24

site_id	AE3
Number of Residues	24
Details	binding site for residue 38H H 301

Chain	Residue
A	EDO302
A	EDO305
H	ALA93
H	GLU96
H	PHE97
H	TYR101
H	ARG102
H	PHE105
H	SER106
H	ASP107
H	LEU108
H	GLU129
H	LEU130
H	ASN136
H	GLY138
H	ARG139
H	SER145
H	PHE146
H	ALA149
H	LEU194
H	TYR195
H	HOH451
H	HOH452
H	HOH469

site_id	AE4
Number of Residues	2
Details	binding site for residue EDO H 302

Chain	Residue
H	TYR173
H	HIS177

site_id	AE5
Number of Residues	5
Details	binding site for residue EDO H 303

Chain	Residue
G	HOH433
H	SER25
H	GLN26
H	MET83
H	HOH472

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	8
Details	SITE: Cleavage; by caspase-1

Chain	Residue	Details
A	GLY117
B	GLY117
C	GLY117
D	GLY117
E	GLY117
F	GLY117
G	GLY117
H	GLY117

site_id	SWS_FT_FI2
Number of Residues	8
Details	MOD_RES: Phosphoserine; by PLK3 => ECO:0000269\|PubMed:21840391

Chain	Residue	Details
A	PHE105
B	PHE105
C	PHE105
D	PHE105
E	PHE105
F	PHE105
G	PHE105
H	PHE105

site_id	SWS_FT_FI3
Number of Residues	8
Details	MOD_RES: Phosphoserine; by CDK1 => ECO:0000269\|PubMed:19917720

Chain	Residue	Details
A	THR118
B	THR118
C	THR118
D	THR118
E	THR118
F	THR118
G	THR118
H	THR118

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