4JTU

Crystal structure of human dihydroorotate dehydrogenase (DHODH) with brequinar analogue

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004151	molecular_function	dihydroorotase activity
A	0004152	molecular_function	dihydroorotate dehydrogenase activity
A	0005515	molecular_function	protein binding
A	0005654	cellular_component	nucleoplasm
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0005743	cellular_component	mitochondrial inner membrane
A	0005829	cellular_component	cytosol
A	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
A	0006221	biological_process	pyrimidine nucleotide biosynthetic process
A	0006225	biological_process	UDP biosynthetic process
A	0009220	biological_process	pyrimidine ribonucleotide biosynthetic process
A	0016020	cellular_component	membrane
A	0016491	molecular_function	oxidoreductase activity
A	0016627	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors
A	0044205	biological_process	'de novo' UMP biosynthetic process
A	0106430	molecular_function	dihydroorotate dehydrogenase (quinone) activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	26
Details	BINDING SITE FOR RESIDUE FMN A 401

Chain	Residue
A	ALA95
A	ASN212
A	LYS255
A	THR283
A	ASN284
A	THR285
A	SER305
A	GLY306
A	LEU309
A	VAL333
A	GLY334
A	ALA96
A	GLY335
A	LEU355
A	TYR356
A	THR357
A	ORO402
A	HOH501
A	HOH510
A	GLY97
A	LYS100
A	GLY119
A	SER120
A	ASN145
A	TYR147
A	ASN181

---

site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE ORO A 402

Chain	Residue
A	LYS100
A	ASN145
A	TYR147
A	GLY148
A	PHE149
A	ASN212
A	SER215
A	ASN217
A	ASN284
A	THR285
A	FMN401

---

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 403

Chain	Residue
A	ARG245
A	VAL247
A	HIS248

---

site_id	AC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 A 404

Chain	Residue
A	ARG160

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 405

Chain	Residue
A	LYS307
A	PRO308
A	ASP311
A	THR314
A	GLN315
A	ARG318
A	HOH524

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DET A 406

Chain	Residue
A	ARG57
A	GLN126
A	GLU127
A	SER151
A	HIS152

---

site_id	AC7
Number of Residues	13
Details	BINDING SITE FOR RESIDUE JTU A 407

Chain	Residue
A	MET43
A	GLN47
A	PRO52
A	ALA55
A	HIS56
A	ALA59
A	THR63
A	LEU68
A	VAL134
A	ARG136
A	TYR356
A	THR360
A	HOH614

---

Functional Information from PROSITE/UniProt

site_id	PS00911
Number of Residues	20
Details	DHODEHASE_1 Dihydroorotate dehydrogenase signature 1. GfveiGSVTpkpQeGNprPR

Chain	Residue	Details
A	GLY114-ARG133

---

site_id	PS00912
Number of Residues	21
Details	DHODEHASE_2 Dihydroorotate dehydrogenase signature 2. IIGvGGVsSgqdAleKIrAGA

Chain	Residue	Details
A	ILE330-ALA350

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	364
Details	Topological domain: {"description":"Mitochondrial intermembrane","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Nucleophile"}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10673429","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16480261","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	11
Details	Binding site: {}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	7
Details	M-CSA 109

Chain	Residue	Details
A	ASN145	electrostatic stabiliser
A	PHE149	activator, electrostatic stabiliser, enhance reactivity, polar/non-polar interaction
A	SER215	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor, proton relay
A	ASN217	electrostatic stabiliser
A	THR218	activator, electrostatic stabiliser, enhance reactivity, hydrogen bond acceptor
A	LYS255	electrostatic stabiliser, hydrogen bond donor
A	ASN284	electrostatic stabiliser

---