1D3G

HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH BREQUINAR ANALOG

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	4
Details	BINDING SITE FOR RESIDUE SO4 A 400

Chain	Residue
A	ARG245
A	VAL247
A	HIS248
A	HOH649

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site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACT A 401

Chain	Residue
A	ARG318
A	HOH418
A	LYS307
A	PRO308
A	ASP311
A	THR314
A	GLN315

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site_id	AC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE BRE A 397

Chain	Residue
A	LEU46
A	GLN47
A	PRO52
A	ALA55
A	HIS56
A	ALA59
A	LEU67
A	LEU68
A	VAL134
A	ARG136
A	TYR356
A	THR360
A	HOH444
A	DDQ700

---

site_id	AC4
Number of Residues	25
Details	BINDING SITE FOR RESIDUE FMN A 398

Chain	Residue
A	ALA95
A	ALA96
A	GLY97
A	LYS100
A	GLY119
A	SER120
A	ASN145
A	ASN181
A	ASN212
A	LYS255
A	THR283
A	ASN284
A	THR285
A	SER305
A	GLY306
A	LEU309
A	VAL333
A	GLY334
A	GLY335
A	LEU355
A	TYR356
A	THR357
A	ORO399
A	HOH403
A	HOH405

---

site_id	AC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE ORO A 399

Chain	Residue
A	LYS100
A	ASN145
A	TYR147
A	GLY148
A	PHE149
A	ASN212
A	SER215
A	ASN217
A	ASN284
A	THR285
A	FMN398

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DDQ A 700

Chain	Residue
A	MET30
A	ALA31
A	TYR38
A	LEU58
A	PHE62
A	LEU68
A	BRE397

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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

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Functional Information from SwissProt/UniProt

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

Chain

Residue

Details

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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

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	a catalytic site defined by CSA, PubMed 10673429

Chain	Residue	Details
A	SER215
A	THR218
A	PHE149
A	LYS255

---

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

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