4J56

Structure of Plasmodium falciparum thioredoxin reductase-thioredoxin complex

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
E	0005737	cellular_component	cytoplasm
E	0005829	cellular_component	cytosol
E	0015035	molecular_function	protein-disulfide reductase activity
F	0005737	cellular_component	cytoplasm
F	0005829	cellular_component	cytosol
F	0015035	molecular_function	protein-disulfide reductase activity
G	0005737	cellular_component	cytoplasm
G	0005829	cellular_component	cytosol
G	0015035	molecular_function	protein-disulfide reductase activity
H	0005737	cellular_component	cytoplasm
H	0005829	cellular_component	cytosol
H	0015035	molecular_function	protein-disulfide reductase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	37
Details	BINDING SITE FOR RESIDUE FAD A 600

Chain	Residue
A	GLY48
A	CYS88
A	VAL91
A	GLY92
A	CYS93
A	LYS96
A	LEU160
A	ALA161
A	ALA191
A	THR192
A	GLY193
A	GLY50
A	CYS194
A	SER212
A	VAL233
A	ARG316
A	ASP319
A	GLY356
A	ASP357
A	GLU364
A	LEU365
A	ALA366
A	PRO51
A	PRO367
A	TYR398
A	HOH702
A	HOH708
A	HOH709
A	HOH740
B	HIS509
B	PRO510
A	GLY52
A	ASP71
A	TYR72
A	LYS74
A	GLY86
A	THR87

---

site_id	AC2
Number of Residues	30
Details	BINDING SITE FOR RESIDUE FAD B 600

Chain	Residue
A	HIS509
B	GLY50
B	PRO51
B	GLY52
B	ASP71
B	TYR72
B	LYS74
B	GLY86
B	THR87
B	CYS88
B	GLY92
B	CYS93
B	LYS96
B	GLY159
B	LEU160
B	ALA161
B	THR192
B	GLY193
B	VAL233
B	ARG316
B	ASP319
B	GLY356
B	ASP357
B	GLU364
B	LEU365
B	ALA366
B	PRO367
B	TYR398
B	HOH716
B	HOH738

---

site_id	AC3
Number of Residues	31
Details	BINDING SITE FOR RESIDUE FAD C 600

Chain	Residue
C	GLY48
C	GLY50
C	PRO51
C	GLY52
C	ASP71
C	TYR72
C	VAL73
C	LYS74
C	GLY86
C	THR87
C	CYS88
C	GLY92
C	CYS93
C	LYS96
C	GLY159
C	LEU160
C	ALA161
C	THR192
C	GLY193
C	CYS194
C	VAL233
C	ARG316
C	ASP319
C	GLY356
C	ASP357
C	GLU364
C	LEU365
C	ALA366
C	PRO367
C	TYR398
D	HIS509

---

site_id	AC4
Number of Residues	35
Details	BINDING SITE FOR RESIDUE FAD D 600

Chain	Residue
D	GLY48
D	GLY50
D	PRO51
D	GLY52
D	ASP71
D	TYR72
D	LYS74
D	GLY86
D	THR87
D	CYS88
D	VAL91
D	GLY92
D	CYS93
D	LYS96
D	GLY159
D	ALA161
D	ALA191
D	THR192
D	GLY193
D	SER212
D	VAL233
D	ARG316
D	ASP319
D	LEU323
D	GLY356
D	ASP357
D	GLU364
D	LEU365
D	ALA366
D	PRO367
D	TYR398
D	HOH711
D	HOH732
D	HOH734
C	HIS509

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	GLY85-PRO95

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	56
Details	Region: {"description":"Loop important for the interaction with TRX1","evidences":[{"source":"PubMed","id":"23845423","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"9368022","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	52
Details	Binding site: {"description":"in other chain","evidences":[{"source":"PubMed","id":"22889878","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23845423","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4B1B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4J56","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4J57","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"23845423","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4J56","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4J57","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	408
Details	Domain: {"description":"Thioredoxin","evidences":[{"source":"PROSITE-ProRule","id":"PRU00691","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	8
Details	Active site: {"description":"Nucleophile","evidences":[{"source":"UniProtKB","id":"P10599","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	4
Details	Site: {"description":"Deprotonates C-terminal active site Cys","evidences":[{"evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	8
Details	Site: {"description":"Contributes to redox potential value","evidences":[{"evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---