5OML

Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules to investigate the water envelope

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005778	cellular_component	peroxisomal membrane
A	0016560	biological_process	protein import into peroxisome matrix, docking
B	0005778	cellular_component	peroxisomal membrane
B	0016560	biological_process	protein import into peroxisome matrix, docking
C	0005778	cellular_component	peroxisomal membrane
C	0016560	biological_process	protein import into peroxisome matrix, docking
D	0005778	cellular_component	peroxisomal membrane
D	0016560	biological_process	protein import into peroxisome matrix, docking

Functional Information from PDB Data

site_id	AC1
Number of Residues	13
Details	binding site for residue 9YB A 101

Chain	Residue
A	ASN13
A	HOH247
D	SER30
D	HIS33
D	9YB101
A	GLU16
A	PHE17
A	THR26
A	PHE34
A	LEU35
A	LYS38
A	HOH240
A	HOH241

---

site_id	AC2
Number of Residues	7
Details	binding site for residue SO4 A 102

Chain	Residue
A	SER5
A	GLU6
A	HOH249
A	HOH260
B	LYS36
B	SER41
B	ALA42

---

site_id	AC3
Number of Residues	8
Details	binding site for residue SO4 A 103

Chain	Residue
A	SER41
A	ALA42
A	HOH217
A	HOH251
A	HOH270
A	HOH276
B	SER5
B	GLU6

---

site_id	AC4
Number of Residues	2
Details	binding site for residue BME A 104

Chain	Residue
A	CYS46
D	ARG7

---

site_id	AC5
Number of Residues	13
Details	binding site for residue 9YB B 101

Chain	Residue
B	ASN13
B	GLU16
B	PHE17
B	THR26
B	PHE34
B	LEU35
B	LYS38
B	HOH220
B	HOH246
B	HOH254
C	HIS33
C	PHE34
C	9YB101

---

site_id	AC6
Number of Residues	6
Details	binding site for residue SO4 B 102

Chain	Residue
B	THR57
B	ASN59
B	ARG63
B	HOH239
B	HOH248
B	HOH265

---

site_id	AC7
Number of Residues	12
Details	binding site for residue 9YB C 101

Chain	Residue
B	PHE34
B	SER37
B	9YB101
C	ASN13
C	PHE17
C	THR26
C	PHE34
C	LEU35
C	LYS38
C	HOH216
C	HOH244
C	HOH267

---

site_id	AC8
Number of Residues	6
Details	binding site for residue SO4 C 102

Chain	Residue
C	PRO27
C	THR28
C	SER29
C	HOH203
C	HOH223
C	HOH257

---

site_id	AC9
Number of Residues	6
Details	binding site for residue SO4 C 103

Chain	Residue
C	THR57
C	ASN59
C	ARG63
C	HOH201
C	HOH228
C	HOH243

---

site_id	AD1
Number of Residues	15
Details	binding site for residue 9YB D 101

Chain	Residue
A	PHE34
A	SER37
A	9YB101
D	ASN13
D	PHE17
D	THR26
D	SER30
D	PHE34
D	LEU35
D	LYS38
D	HOH201
D	HOH213
D	HOH217
D	HOH224
D	HOH246

---

site_id	AD2
Number of Residues	13
Details	binding site for Di-peptide BME B 103 and CYS B 46

Chain	Residue
B	HOH225
C	ARG7
B	ALA42
B	GLU43
B	GLU44
B	ILE45
B	GLU47
B	ALA48
B	PHE49
B	THR50
B	LYS56
B	ILE61
B	HOH207

---

site_id	AD3
Number of Residues	14
Details	binding site for Di-peptide BME C 104 and CYS C 46

Chain	Residue
B	ASN59
C	ALA42
C	GLU43
C	GLU44
C	ILE45
C	GLU47
C	ALA48
C	PHE49
C	THR50
C	LYS56
C	LEU58
C	ILE61
C	HOH212
C	HOH237

---

site_id	AD4
Number of Residues	12
Details	binding site for Di-peptide BME D 102 and CYS D 46

Chain	Residue
D	ALA42
D	GLU43
D	GLU44
D	ILE45
D	GLU47
D	ALA48
D	PHE49
D	THR50
D	LYS56
D	LEU58
D	ILE61
D	HOH211

---