3O7U

Crystal structure of Cytosine Deaminase from Escherichia Coli complexed with zinc and phosphono-cytosine

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004131	molecular_function	cytosine deaminase activity
A	0005829	cellular_component	cytosol
A	0006209	biological_process	cytosine catabolic process
A	0008198	molecular_function	ferrous iron binding
A	0008270	molecular_function	zinc ion binding
A	0016787	molecular_function	hydrolase activity
A	0016810	molecular_function	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
A	0016814	molecular_function	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines
A	0019239	molecular_function	deaminase activity
A	0019858	biological_process	cytosine metabolic process
A	0035888	molecular_function	isoguanine deaminase activity
A	0042802	molecular_function	identical protein binding
A	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PXN A 427

Chain	Residue
A	GLN102
A	TRP105
A	GLN106
A	LYS109
A	GLU417

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN A 428

Chain	Residue
A	O7U430
A	HIS61
A	HIS63
A	HIS214
A	ASP313

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 429

Chain	Residue
A	HIS97
A	HIS97
A	GLU138
A	GLU138

---

site_id	AC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE O7U A 430

Chain	Residue
A	HIS61
A	HIS63
A	LEU81
A	GLN156
A	HIS214
A	GLU217
A	HIS246
A	ASP313
A	ASP314
A	TRP319
A	ZN428
A	HOH449

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 431

Chain	Residue
A	LEU160
A	PRO163
A	PHE188
A	HIS234
A	HIS235
A	HOH461

---

site_id	AC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 432

Chain	Residue
A	ARG390
A	TYR424
A	HOH533
A	HOH593
A	HOH614
A	HOH661
A	HOH677
A	HOH680

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 433

Chain	Residue
A	GLN345
A	ASP348
A	ASN351
A	LEU352
A	HOH665

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 434

Chain	Residue
A	THR258
A	SER259
A	GLU300
A	HOH546
A	HOH671

---

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL A 435

Chain	Residue
A	GLN205
A	ASP208

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 436

Chain	Residue
A	GLU49
A	GLN50
A	PRO380
A	ALA381
A	GLU382
A	LYS425

---

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PEG A 438

Chain	Residue
A	GLN72
A	PRO73
A	LEU94

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"11812140","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"21545144","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"21604715","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"21545144","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21604715","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"MAR-2011","submissionDatabase":"PDB data bank","title":"Crystal structure of cytosine deaminase from Escherichia coli complexed with two zinc atoms in the active site.","authors":["Fedorov A.A.","Fedorov E.V.","Kamat S.","Hitchcock D.","Raushel F.M.","Almo S.C."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11812140","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15381761","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21545144","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21604715","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11812140","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15381761","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21545144","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Site: {"description":"Activates the nucleophilic water","evidences":[{"source":"PubMed","id":"21545144","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"21604715","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	6
Details	M-CSA 710

Chain	Residue	Details
A	HIS61	metal ligand
A	HIS63	metal ligand
A	GLN156	electrostatic stabiliser
A	HIS214	metal ligand
A	GLU217	proton acceptor, proton donor
A	ASP313	metal ligand

---