2ZZB

Crystal structure of human thioredoxin reductase I and terpyridine platinum(II)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004791	molecular_function	thioredoxin-disulfide reductase (NADPH) activity
A	0016491	molecular_function	oxidoreductase activity
A	0016668	molecular_function	oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor
A	0045454	biological_process	cell redox homeostasis
A	0050660	molecular_function	flavin adenine dinucleotide binding
B	0004791	molecular_function	thioredoxin-disulfide reductase (NADPH) activity
B	0016491	molecular_function	oxidoreductase activity
B	0016668	molecular_function	oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor
B	0045454	biological_process	cell redox homeostasis
B	0050660	molecular_function	flavin adenine dinucleotide binding
C	0004791	molecular_function	thioredoxin-disulfide reductase (NADPH) activity
C	0016491	molecular_function	oxidoreductase activity
C	0016668	molecular_function	oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor
C	0045454	biological_process	cell redox homeostasis
C	0050660	molecular_function	flavin adenine dinucleotide binding
D	0004791	molecular_function	thioredoxin-disulfide reductase (NADPH) activity
D	0016491	molecular_function	oxidoreductase activity
D	0016668	molecular_function	oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor
D	0045454	biological_process	cell redox homeostasis
D	0050660	molecular_function	flavin adenine dinucleotide binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	33
Details	BINDING SITE FOR RESIDUE FAD A 500

Chain	Residue
A	ILE18
A	GLY57
A	THR58
A	CYS59
A	VAL62
A	GLY63
A	CYS64
A	LYS67
A	ALA130
A	TYR131
A	GLY132
A	GLY19
A	ALA160
A	THR161
A	GLY162
A	TYR200
A	VAL201
A	ARG293
A	ILE300
A	GLY333
A	ASP334
A	GLU341
A	GLY21
A	LEU342
A	THR343
A	PRO344
B	HIS472
A	SER22
A	GLY23
A	LEU41
A	ASP42
A	PHE43
A	VAL44

---

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 502

Chain	Residue
A	ARG221
A	SER222
A	ARG226

---

site_id	AC3
Number of Residues	30
Details	BINDING SITE FOR RESIDUE FAD B 500

Chain	Residue
A	HIS472
B	ILE18
B	GLY19
B	GLY21
B	SER22
B	GLY23
B	ASP42
B	PHE43
B	VAL44
B	GLY57
B	THR58
B	VAL62
B	GLY63
B	CYS64
B	LYS67
B	ALA130
B	TYR131
B	GLY132
B	ALA160
B	THR161
B	GLY162
B	TYR200
B	ARG293
B	ILE300
B	GLY333
B	ASP334
B	GLU341
B	LEU342
B	THR343
B	PRO344

---

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE TPT B 501

Chain	Residue
B	ASN107
B	TRP114

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 502

Chain	Residue
B	ARG221
B	SER222
B	ARG226
B	HOH517

---

site_id	AC6
Number of Residues	33
Details	BINDING SITE FOR RESIDUE FAD C 500

Chain	Residue
C	ASP334
C	GLU341
C	LEU342
C	THR343
C	PRO344
D	HIS472
C	ILE18
C	GLY19
C	GLY21
C	SER22
C	GLY23
C	LEU41
C	ASP42
C	PHE43
C	VAL44
C	GLY57
C	THR58
C	CYS59
C	VAL62
C	GLY63
C	CYS64
C	LYS67
C	ALA130
C	TYR131
C	GLY132
C	ALA160
C	THR161
C	GLY162
C	TYR200
C	VAL201
C	ARG293
C	ILE300
C	GLY333

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 502

Chain	Residue
C	ARG221
C	SER222
C	ARG226

---

site_id	AC8
Number of Residues	31
Details	BINDING SITE FOR RESIDUE FAD D 500

Chain	Residue
C	HIS472
D	ILE18
D	GLY19
D	GLY20
D	GLY21
D	SER22
D	GLY23
D	LEU41
D	ASP42
D	PHE43
D	GLY57
D	THR58
D	VAL62
D	GLY63
D	CYS64
D	LYS67
D	ALA130
D	TYR131
D	GLY132
D	ALA160
D	THR161
D	GLY162
D	TYR200
D	ARG293
D	ILE300
D	GLY333
D	ASP334
D	GLU341
D	LEU342
D	THR343
D	PRO344

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE TPT D 501

Chain	Residue
C	CYS498
C	GLY499
D	ASN107
D	SER111
D	TRP114

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 502

Chain	Residue
D	ARG221
D	SER222
D	ARG226

---

Functional Information from PROSITE/UniProt

site_id	PS00076
Number of Residues	11
Details	PYRIDINE_REDOX_1 Pyridine nucleotide-disulphide oxidoreductases class-I active site. GGtCVnvGCIP

Chain	Residue	Details
A	GLY56-PRO66

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton acceptor => ECO:0000250

Chain	Residue	Details
A	HIS472
B	HIS472
C	HIS472
D	HIS472

---

site_id	SWS_FT_FI2
Number of Residues	48
Details	BINDING: BINDING => ECO:0000269|PubMed:17512005, ECO:0007744|PDB:2J3N

Chain	Residue	Details
A	TYR131
B	SER22
B	ASP42
B	THR58
B	GLY63
B	TYR131
B	ARG166
B	ALA198
B	ARG221
B	GLY292
B	LYS315
B	ASP334
B	HIS472
C	SER22
C	ASP42
C	THR58
C	GLY63
C	TYR131
C	ARG166
C	ALA198
C	ARG221
C	GLY292
C	LYS315
C	ASP334
C	HIS472
D	SER22
D	ASP42
D	THR58
D	GLY63
D	TYR131
D	ARG166
D	ALA198
D	ARG221
D	GLY292
D	LYS315
D	ASP334
D	HIS472
A	SER22
A	ASP42
A	THR58
A	GLY63
A	ARG166
A	ALA198
A	ARG221
A	GLY292
A	LYS315
A	ASP334
A	HIS472

---

site_id	SWS_FT_FI3
Number of Residues	8
Details	BINDING: BINDING => ECO:0007744|PDB:2J3N

Chain	Residue	Details
C	THR161
C	GLU341
D	THR161
D	GLU341
A	THR161
A	GLU341
B	THR161
B	GLU341

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	BINDING: BINDING => ECO:0007744|PDB:2ZZ0, ECO:0007744|PDB:2ZZB, ECO:0007744|PDB:3QFA

Chain	Residue	Details
A	TYR200
B	TYR200
C	TYR200
D	TYR200

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	BINDING: BINDING => ECO:0000250|UniProtKB:O89049

Chain	Residue	Details
A	ARG226
B	ARG226
C	ARG226
D	ARG226

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:Q9JMH6

Chain	Residue	Details
D	LYS68
A	LYS68
B	LYS68
C	LYS68

---

site_id	SWS_FT_FI7
Number of Residues	4
Details	MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:15592455

Chain	Residue	Details
A	TYR131
B	TYR131
C	TYR131
D	TYR131

---

site_id	SWS_FT_FI8
Number of Residues	8
Details	CROSSLNK: Cysteinyl-selenocysteine (Cys-Sec) => ECO:0000250

Chain	Residue	Details
C	CYS497
C	CYS498
D	CYS497
D	CYS498
A	CYS497
A	CYS498
B	CYS497
B	CYS498

---