4GBU

OYE1-W116A in complex with aromatic product of S-carvone dismutation

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003959	molecular_function	NADPH dehydrogenase activity
A	0006915	biological_process	apoptotic process
A	0010181	molecular_function	FMN binding
A	0016491	molecular_function	oxidoreductase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG A 401

Chain	Residue
A	HOH913
A	HOH1090

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site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE 0WV A 402

Chain	Residue
A	FMN412
A	HOH1148
A	THR37
A	TYR82
A	ALA116
A	HIS191
A	ASN194
A	TYR196
A	TYR375

---

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 403

Chain	Residue
A	ASP83
A	ASN126

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA A 404

Chain	Residue
A	TYR375
A	1PE410
A	HOH1130

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 1PE A 405

Chain	Residue
A	ASP51
A	TRP52
A	ASP358
A	GLU389
A	NA409
A	HOH909
A	HOH1125

---

site_id	AC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 1PE A 406

Chain	Residue
A	GLU305
A	GLY307
A	SER308
A	ASP310
A	TYR313
A	ARG322
A	ASP339
A	NA416
A	HOH976
A	HOH1156

---

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE MG A 407

Chain	Residue
A	HOH1151
A	HOH1151
A	HOH1152
A	HOH1152
A	HOH1153
A	HOH1153
A	HOH1154
A	HOH1154

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA A 408

Chain	Residue
A	GLN9
A	ALA10
A	1PE411

---

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA A 409

Chain	Residue
A	TRP52
A	1PE405

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE 1PE A 410

Chain	Residue
A	PHE123
A	NA404
A	HOH769

---

site_id	BC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE 1PE A 411

Chain	Residue
A	PRO8
A	GLN9
A	ALA10
A	HIS43
A	ASP83
A	ARG334
A	LYS362
A	GLY363
A	NA408

---

site_id	BC3
Number of Residues	19
Details	BINDING SITE FOR RESIDUE FMN A 412

Chain	Residue
A	PRO34
A	PRO35
A	LEU36
A	THR37
A	GLY72
A	GLN114
A	HIS191
A	ASN194
A	ARG243
A	PRO295
A	GLY324
A	ASN325
A	GLY347
A	ARG348
A	0WV402
A	HOH503
A	HOH504
A	HOH506
A	HOH515

---

site_id	BC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 413

Chain	Residue
A	LYS4
A	LYS368

---

site_id	BC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE NA A 414

Chain	Residue
A	1PE415

---

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 1PE A 415

Chain	Residue
A	ASP370
A	HIS380
A	ASP384
A	NA414
A	HOH820

---

site_id	BC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA A 416

Chain	Residue
A	1PE406
A	HOH611

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"9830020","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11668181","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"7881908","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9830019","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11668181","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"7881908","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 319

Chain	Residue	Details
A	THR37	electrostatic stabiliser, hydrogen bond donor
A	HIS191	electrostatic stabiliser, hydrogen bond donor
A	ASN194	electrostatic stabiliser, hydrogen bond donor
A	TYR196	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	ASN251	hydrogen bond donor, increase acidity

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