6UVC

Crystal structure of BCL-XL bound to compound 8: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)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

Functional Information from PDB Data

site_id	AC1
Number of Residues	15
Details	binding site for residue XOY A 301

Chain	Residue
A	ALA93
A	PHE146
A	PHE191
A	EDO308
A	HOH415
A	HOH481
A	HOH516
A	TYR101
A	ALA104
A	PHE105
A	LEU108
A	GLU129
A	TRP137
A	GLY138
A	ALA142

---

site_id	AC2
Number of Residues	4
Details	binding site for residue SO4 A 302

Chain	Residue
A	TYR22
A	SER23
A	HOH440
B	VAL155

---

site_id	AC3
Number of Residues	4
Details	binding site for residue SO4 A 303

Chain	Residue
A	ARG100
A	GLN160
A	VAL161
A	HOH433

---

site_id	AC4
Number of Residues	4
Details	binding site for residue EDO A 304

Chain	Residue
A	GLN125
A	ASN128
A	HOH444
B	GLU96

---

site_id	AC5
Number of Residues	4
Details	binding site for residue EDO A 305

Chain	Residue
A	TRP24
A	SER25
A	EDO309
A	HOH412

---

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

Chain	Residue
A	TYR101
A	ARG103
A	ALA104

---

site_id	AC7
Number of Residues	4
Details	binding site for residue EDO A 307

Chain	Residue
A	GLY134
A	VAL135
A	TRP181
A	HOH483

---

site_id	AC8
Number of Residues	5
Details	binding site for residue EDO A 308

Chain	Residue
A	LEU130
A	ARG139
A	XOY301
A	HOH415
A	HOH442

---

site_id	AC9
Number of Residues	5
Details	binding site for residue EDO A 309

Chain	Residue
A	SER14
A	MET83
A	ALA84
A	LYS87
A	EDO305

---

site_id	AD1
Number of Residues	3
Details	binding site for residue EDO A 310

Chain	Residue
A	GLN160
A	HOH411
B	TRP24

---

site_id	AD2
Number of Residues	12
Details	binding site for residue XOY B 301

Chain	Residue
B	ALA93
B	TYR101
B	PHE105
B	LEU108
B	ASN136
B	TRP137
B	GLY138
B	ARG139
B	ALA142
B	PHE191
B	EDO304
B	HOH410

---

site_id	AD3
Number of Residues	2
Details	binding site for residue SO4 B 302

Chain	Residue
B	THR115
B	GLY117

---

site_id	AD4
Number of Residues	6
Details	binding site for residue EDO B 303

Chain	Residue
A	ARG6
A	VAL10
B	ALA167
B	ALA168
B	HOH403
B	HOH408

---

site_id	AD5
Number of Residues	3
Details	binding site for residue EDO B 304

Chain	Residue
B	ARG139
B	XOY301
B	HOH410

---

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	40
Details	Motif: {"description":"BH4"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	28
Details	Motif: {"description":"BH3"}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	38
Details	Motif: {"description":"BH1"}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	30
Details	Motif: {"description":"BH2"}

Chain

Residue

Details

---