Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4R85

Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with 5-methylcytosine

Replaces: 4JNP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004131	molecular_function	cytosine deaminase activity
A	0006209	biological_process	cytosine catabolic process
A	0016787	molecular_function	hydrolase activity
A	0016810	molecular_function	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
A	0035888	molecular_function	isoguanine deaminase activity
A	0046872	molecular_function	metal ion binding
A	0102480	molecular_function	5-fluorocytosine deaminase activity
B	0004131	molecular_function	cytosine deaminase activity
B	0006209	biological_process	cytosine catabolic process
B	0016787	molecular_function	hydrolase activity
B	0016810	molecular_function	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
B	0035888	molecular_function	isoguanine deaminase activity
B	0046872	molecular_function	metal ion binding
B	0102480	molecular_function	5-fluorocytosine deaminase activity
C	0004131	molecular_function	cytosine deaminase activity
C	0006209	biological_process	cytosine catabolic process
C	0016787	molecular_function	hydrolase activity
C	0016810	molecular_function	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
C	0035888	molecular_function	isoguanine deaminase activity
C	0046872	molecular_function	metal ion binding
C	0102480	molecular_function	5-fluorocytosine deaminase activity
D	0004131	molecular_function	cytosine deaminase activity
D	0006209	biological_process	cytosine catabolic process
D	0016787	molecular_function	hydrolase activity
D	0016810	molecular_function	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
D	0035888	molecular_function	isoguanine deaminase activity
D	0046872	molecular_function	metal ion binding
D	0102480	molecular_function	5-fluorocytosine deaminase activity
E	0004131	molecular_function	cytosine deaminase activity
E	0006209	biological_process	cytosine catabolic process
E	0016787	molecular_function	hydrolase activity
E	0016810	molecular_function	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
E	0035888	molecular_function	isoguanine deaminase activity
E	0046872	molecular_function	metal ion binding
E	0102480	molecular_function	5-fluorocytosine deaminase activity
F	0004131	molecular_function	cytosine deaminase activity
F	0006209	biological_process	cytosine catabolic process
F	0016787	molecular_function	hydrolase activity
F	0016810	molecular_function	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
F	0035888	molecular_function	isoguanine deaminase activity
F	0046872	molecular_function	metal ion binding
F	0102480	molecular_function	5-fluorocytosine deaminase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	BINDING SITE FOR RESIDUE 17E A 501

Chain	Residue
A	HIS58
A	ASP308
A	SER309
A	TRP314
A	FE2502
A	HOH601
A	LEU76
A	PHE149
A	GLN151
A	ILE178
A	HIS209
A	GLU212
A	HIS241
A	GLU273

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 A 502

Chain	Residue
A	HIS56
A	HIS58
A	HIS209
A	HIS241
A	ASP308
A	17E501

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL A 503

Chain	Residue
A	ARG185
A	GLN217
A	ARG219
A	PHE220
A	GLU222
A	VAL223
A	HOH647
A	HOH669
A	HOH715
A	HOH746

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 504

Chain	Residue
A	PRO123
A	LEU125
A	ARG166
A	HOH833

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 505

Chain	Residue
A	ASP327
A	ALA328
A	HOH828
A	HOH894
D	ASP327
D	ALA328
D	HIS331

site_id	AC6
Number of Residues	14
Details	BINDING SITE FOR RESIDUE 17E B 501

Chain	Residue
B	HIS58
B	LEU76
B	PHE149
B	GLN151
B	ILE178
B	HIS209
B	GLU212
B	HIS241
B	GLU273
B	ASP308
B	SER309
B	TRP314
B	FE2502
B	HOH610

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 B 502

Chain	Residue
B	HIS56
B	HIS58
B	HIS209
B	HIS241
B	ASP308
B	17E501

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 503

Chain	Residue
B	PRO92
B	GLU93
B	ALA130
B	HOH670

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 504

Chain	Residue
B	SER254
B	PHE257
B	ARG292
B	GLU295
B	HOH611
B	HOH662
B	HOH747
B	HOH785

site_id	BC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL B 505

Chain	Residue
B	ARG185
B	GLN217
B	ARG219
B	PHE220
B	GLU222
B	VAL223
B	HOH635
B	HOH700
B	HOH738
B	HOH743

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 506

Chain	Residue
B	GLN145
B	ASP173
B	LEU356
B	CYS357

site_id	BC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE 17E C 501

Chain	Residue
C	FE2502
C	HOH621
C	HIS58
C	LEU76
C	PHE149
C	GLN151
C	ILE178
C	HIS209
C	GLU212
C	HIS241
C	GLU273
C	ASP308
C	SER309
C	TRP314

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 C 502

Chain	Residue
C	HIS56
C	HIS58
C	HIS209
C	HIS241
C	ASP308
C	17E501

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 503

Chain	Residue
C	ASP327
C	ALA328
E	ASP327
E	ALA328
E	HIS331
E	HOH882

site_id	BC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL C 504

Chain	Residue
C	ARG185
C	GLN217
C	ARG219
C	PHE220
C	GLU222
C	VAL223
C	HOH645
C	HOH801

site_id	BC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 505

Chain	Residue
C	SER254
C	PHE257
C	ARG292
C	GLU295
C	HOH618
C	HOH647
E	HOH706

site_id	BC8
Number of Residues	13
Details	BINDING SITE FOR RESIDUE 17E D 501

Chain	Residue
D	HIS58
D	LEU76
D	PHE149
D	GLN151
D	ILE178
D	GLU212
D	HIS241
D	GLU273
D	ASP308
D	SER309
D	TRP314
D	FE2502
D	HOH604

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 D 502

Chain	Residue
D	HIS56
D	HIS58
D	HIS209
D	HIS241
D	ASP308
D	17E501

site_id	CC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 503

Chain	Residue
D	SER254
D	PHE257
D	ARG292
D	GLU295
D	HOH618
D	HOH625
D	HOH783

site_id	CC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL D 504

Chain	Residue
D	ARG185
D	GLN217
D	ARG219
D	PHE220
D	GLU222
D	VAL223
D	HOH645
D	HOH666
D	HOH707
D	HOH740

site_id	CC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE 17E E 501

Chain	Residue
E	HIS58
E	LEU76
E	PHE149
E	GLN151
E	ILE178
E	GLU212
E	HIS241
E	GLU273
E	ASP308
E	SER309
E	TRP314
E	FE2502
E	HOH617

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 E 502

Chain	Residue
E	HIS56
E	HIS58
E	HIS209
E	HIS241
E	ASP308
E	17E501

site_id	CC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL E 503

Chain	Residue
E	ARG185
E	GLN217
E	ARG219
E	PHE220
E	GLU222
E	VAL223
E	HOH618
E	HOH751
E	HOH764

site_id	CC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL E 504

Chain	Residue
E	SER254
E	PHE257
E	ARG292
E	GLU295
E	HOH619
E	HOH776
E	HOH802

site_id	CC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL E 505

Chain	Residue
E	HIS113
E	ASP143
E	ASN361
E	PRO369
E	ASN371
E	ARG395
E	HIS396
E	HOH841

site_id	CC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL F 501

Chain	Residue
B	ASP327
B	ALA328
B	HIS331
F	ASP327
F	ALA328
F	HOH878

site_id	CC9
Number of Residues	14
Details	BINDING SITE FOR RESIDUE 17E F 502

Chain	Residue
F	HIS58
F	LEU76
F	PHE149
F	GLN151
F	ILE178
F	HIS209
F	GLU212
F	HIS241
F	GLU273
F	ASP308
F	SER309
F	TRP314
F	FE2503
F	HOH620

site_id	DC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 F 503

Chain	Residue
F	HIS56
F	HIS58
F	HIS209
F	HIS241
F	ASP308
F	17E502

site_id	DC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL F 504

Chain	Residue
F	ARG185
F	GLN217
F	ARG219
F	PHE220
F	GLU222
F	VAL223
F	HOH650
F	HOH793

site_id	DC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL F 505

Chain	Residue
B	HOH705
F	SER254
F	PHE257
F	ARG292
F	GLU295
F	HOH631

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)