1VYS

STRUCTURE OF PENTAERYTHRITOL TETRANITRATE REDUCTASE W102Y MUTANT AND COMPLEXED WITH PICRIC ACID

Functional Information from GO Data

Chain	GOid	namespace	contents
X	0005829	cellular_component	cytosol
X	0010181	molecular_function	FMN binding
X	0016491	molecular_function	oxidoreductase activity
X	0016628	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	BINDING SITE FOR RESIDUE FMN X 401

Chain	Residue
X	ALA23
X	LEU275
X	ALA302
X	GLY323
X	ARG324
X	TYR351
X	TNF500
X	HOH2518
X	HOH2601
X	HOH2602
X	HOH2603
X	PRO24
X	HOH2604
X	LEU25
X	THR26
X	ALA58
X	GLN100
X	HIS181
X	HIS184
X	ARG233

---

site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE TNF X 500

Chain	Residue
X	THR26
X	ALA58
X	TYR68
X	TYR102
X	HIS181
X	HIS184
X	TYR186
X	GLN241
X	TYR351
X	FMN401
X	HOH2575

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"11428899","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"11923299","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11428899","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11923299","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15128738","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19891489","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21064170","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21374779","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"28177310","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1GVO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GVQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GVR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GVS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1H50","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1H51","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1H60","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1H61","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1H62","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1H63","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1VYP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1VYR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1VYS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KFT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P62","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P67","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P74","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P7Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P80","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P81","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P82","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P84","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P8I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P8J","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11428899","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11923299","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15128738","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16156787","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19891489","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21064170","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21374779","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"28177310","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"31119061","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1GVO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GVQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GVR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GVS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1H50","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1H51","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1H60","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1H61","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1H62","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1H63","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1VYP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1VYR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1VYS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ABA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ABB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KFT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P62","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P74","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P7Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P80","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P81","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P82","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P84","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P8I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P8J","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11428899","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11923299","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15128738","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16156787","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19891489","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21064170","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21374779","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"28177310","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"31119061","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1GVO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GVQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GVR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GVS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1H50","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1H51","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1H60","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1H61","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1H62","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1H63","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1VYP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1VYR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1VYS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ABA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ABB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KFT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P62","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P67","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P74","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P7Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P80","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P81","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P82","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P84","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P8I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P8J","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16156787","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2ABA","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11428899","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16156787","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1H60","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ABA","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1oya

Chain	Residue	Details
X	HIS181
X	TYR186
X	HIS184

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1oya

Chain	Residue	Details
X	GLU272
X	TYR186

---