6OC0

Crystal structure of human DHODH with OSU-03012

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	12
Details	binding site for residue ORO A 401

Chain	Residue
A	LYS99
A	ASN283
A	THR284
A	FMN402
A	ASN144
A	TYR146
A	GLY147
A	PHE148
A	ASN211
A	SER214
A	PRO215
A	ASN216

---

site_id	AC2
Number of Residues	25
Details	binding site for residue FMN A 402

Chain	Residue
A	ALA94
A	ALA95
A	GLY96
A	LYS99
A	SER119
A	ASN144
A	TYR146
A	ASN180
A	ASN211
A	LYS254
A	THR282
A	ASN283
A	THR284
A	SER304
A	GLY305
A	LEU308
A	VAL332
A	GLY333
A	GLY334
A	LEU354
A	TYR355
A	THR356
A	ORO401
A	HOH529
A	HOH545

---

site_id	AC3
Number of Residues	3
Details	binding site for residue SO4 A 403

Chain	Residue
A	ARG244
A	HIS247
A	HOH708

---

site_id	AC4
Number of Residues	5
Details	binding site for residue SO4 A 404

Chain	Residue
A	ARG56
A	HIS100
A	ASN149
A	HIS151
A	HOH600

---

site_id	AC5
Number of Residues	3
Details	binding site for residue SO4 A 405

Chain	Residue
A	ARG245
A	ARG248
A	HOH721

---

site_id	AC6
Number of Residues	8
Details	binding site for residue M4J A 406

Chain	Residue
A	TYR37
A	PHE61
A	THR62
A	LEU66
A	LEU67
A	ARG69
A	LEU358
A	PRO363

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	GLY113-ARG132

---

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

Chain	Residue	Details
A	ILE329-ALA349

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Nucleophile"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
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_FI3
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	ASN144	electrostatic stabiliser
A	PHE148	activator, electrostatic stabiliser, enhance reactivity, polar/non-polar interaction
A	SER214	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor, proton relay
A	ASN216	electrostatic stabiliser
A	THR217	activator, electrostatic stabiliser, enhance reactivity, hydrogen bond acceptor
A	LYS254	electrostatic stabiliser, hydrogen bond donor
A	ASN283	electrostatic stabiliser

---