4TOT

Crystal structure of rat cyclophilin D in complex with a potent nonimmunosuppressive inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000413	biological_process	protein peptidyl-prolyl isomerization
A	0003755	molecular_function	peptidyl-prolyl cis-trans isomerase activity
A	0006457	biological_process	protein folding
B	0000413	biological_process	protein peptidyl-prolyl isomerization
B	0003755	molecular_function	peptidyl-prolyl cis-trans isomerase activity
B	0006457	biological_process	protein folding
C	0000413	biological_process	protein peptidyl-prolyl isomerization
C	0003755	molecular_function	peptidyl-prolyl cis-trans isomerase activity
C	0006457	biological_process	protein folding
D	0000413	biological_process	protein peptidyl-prolyl isomerization
D	0003755	molecular_function	peptidyl-prolyl cis-trans isomerase activity
D	0006457	biological_process	protein folding

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	binding site for residue P6G A 201

Chain	Residue
A	VAL93
A	GLY94
A	PRO95
A	HIS131
B	LYS44
B	PHE46
B	ILE78

---

site_id	AC2
Number of Residues	2
Details	binding site for residue SO4 A 202

Chain	Residue
A	LYS148
C	LYS148

---

site_id	AC3
Number of Residues	8
Details	binding site for residue P6G B 201

Chain	Residue
A	PHE46
A	ILE78
B	VAL93
B	GLY94
B	PRO95
B	HIS131
B	HOH306
B	HOH375

---

site_id	AC4
Number of Residues	3
Details	binding site for residue SO4 B 202

Chain	Residue
B	SER147
B	LYS148
B	HOH318

---

site_id	AC5
Number of Residues	8
Details	binding site for residue P6G C 201

Chain	Residue
C	VAL93
C	GLY94
C	PRO95
C	HIS131
D	PHE46
D	SER77
D	ILE78
D	GLY80

---

site_id	AC6
Number of Residues	6
Details	binding site for residue P6G D 201

Chain	Residue
C	PHE46
C	ILE78
D	VAL93
D	GLY94
D	PRO95
D	HIS131

---

site_id	AC7
Number of Residues	22
Details	binding site for nonimmunosuppressive inhibitor chain E

Chain	Residue
A	ARG55
A	PHE60
A	MET61
A	GLN63
A	GLY72
A	THR73
A	ALA101
A	ASN102
A	ALA103
A	GLN111
A	PHE113
A	TRP121
A	HIS126
C	ALA59
C	ILE117
C	TRP121
E	HOH102
E	HOH103
E	HOH104
E	HOH105
E	HOH106
G	MLE2

---

site_id	AC8
Number of Residues	19
Details	binding site for nonimmunosuppressive inhibitor chain F

Chain	Residue
B	ARG55
B	PHE60
B	GLN63
B	GLY72
B	THR73
B	ALA101
B	ASN102
B	ALA103
B	GLN111
B	PHE113
B	TRP121
B	HIS126
D	ALA59
D	ILE117
D	TRP121
F	HOH101
F	HOH102
F	HOH104
H	MLE2

---

site_id	AC9
Number of Residues	21
Details	binding site for nonimmunosuppressive inhibitor chain G

Chain	Residue
A	PRO58
A	ALA59
C	ARG55
C	PHE60
C	MET61
C	GLN63
C	GLY72
C	THR73
C	ALA101
C	ASN102
C	ALA103
C	GLN111
C	PHE113
C	TRP121
C	LEU122
C	HIS126
D	SER144
D	SER153
D	LYS154
E	DAL1
G	HOH103

---

site_id	AD1
Number of Residues	23
Details	binding site for nonimmunosuppressive inhibitor chain H

Chain	Residue
C	LYS154
D	ARG55
D	PHE60
D	MET61
D	GLN63
D	GLY72
D	THR73
D	ALA101
D	ASN102
D	ALA103
D	GLN111
D	PHE113
D	TRP121
D	HIS126
F	DAL1
F	MLE2
H	HOH101
H	HOH102
H	HOH103
H	HOH105
B	PRO58
B	ALA59
C	PHE145

---

Functional Information from PROSITE/UniProt

site_id	PS00170
Number of Residues	18
Details	CSA_PPIASE_1 Cyclophilin-type peptidyl-prolyl cis-trans isomerase signature. YkgStFHRVIpaFMcQAG

Chain	Residue	Details
A	TYR48-GLY65

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	MOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:Q99KR7

Chain	Residue	Details
A	LYS25
B	LYS25
C	LYS25
D	LYS25

---

site_id	SWS_FT_FI2
Number of Residues	12
Details	MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:Q99KR7

Chain	Residue	Details
A	LYS44
D	LYS44
D	ILE133
D	LYS148
A	ILE133
A	LYS148
B	LYS44
B	ILE133
B	LYS148
C	LYS44
C	ILE133
C	LYS148

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:Q99KR7

Chain	Residue	Details
A	LYS125
B	LYS125
C	LYS125
D	LYS125

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	MOD_RES: S-nitrosocysteine => ECO:0000250|UniProtKB:Q99KR7

Chain	Residue	Details
A	CYS161
B	CYS161
C	CYS161
D	CYS161

---