Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4R88

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

Replaces: 4JNR

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	12
Details	BINDING SITE FOR RESIDUE 1LD A 501

Chain	Residue
A	HIS58
A	TRP314
A	FE2502
A	HOH606
A	LEU76
A	PHE149
A	GLN151
A	ILE178
A	GLU212
A	GLU273
A	ASP308
A	SER309

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	1LD501

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 503

Chain	Residue
A	ARG185
A	GLN217
A	ARG219
A	PHE220
A	GLU222
A	VAL223
A	HOH613
A	HOH714

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 504

Chain	Residue
A	ASP327
A	ALA328
A	HOH699
B	ASP327
B	ALA328

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACY A 505

Chain	Residue
A	ASP143
A	ASN361
A	PRO369
A	ASN371
A	HIS396

site_id	AC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE ACY A 506

Chain	Residue
A	ASP140

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 507

Chain	Residue
A	ASP282
A	PRO285
A	ARG287
B	ASP282
B	PRO285
B	ARG287

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 508

Chain	Residue
A	SER254
A	ARG292
A	GLU295
A	HOH617
A	HOH747

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 509

Chain	Residue
A	ARG161
A	SER190
A	ASP197

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 510

Chain	Residue
A	SER156
A	ASN183
D	ARG229

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 511

Chain	Residue
A	ARG46
A	ASP376
A	GLU378
A	ARG386

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 512

Chain	Residue
A	ASP42
A	ARG46
A	LEU391
A	THR392

site_id	BC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 1LD B 501

Chain	Residue
B	HIS58
B	LEU76
B	PHE149
B	GLN151
B	ILE178
B	GLU212
B	GLU273
B	ASP308
B	SER309
B	TRP314
B	FE2502
B	HOH613

site_id	BC5
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	1LD501

site_id	BC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL B 503

Chain	Residue
B	ARG185
B	GLN217
B	ARG219
B	PHE220
B	GLU222
B	VAL223
B	PEG505
B	HOH611
B	HOH709
F	ARG185

site_id	BC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACY B 504

Chain	Residue
B	ARG292
B	GLU295
B	HOH622

site_id	BC8
Number of Residues	12
Details	BINDING SITE FOR RESIDUE PEG B 505

Chain	Residue
B	PHE220
B	GOL503
B	HOH626
E	LYS255
E	HOH630
E	HOH792
B	HIS180
B	ARG185
B	ILE213
B	ASP215
B	GLN217
B	SER218

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 506

Chain	Residue
A	TRP70
B	TYR338
B	LEU341
B	GLN342
B	TYR381

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 507

Chain	Residue
B	ASP143
B	PRO369
B	ASN371
B	ARG395
B	HIS396

site_id	CC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO B 508

Chain	Residue
B	TYR181
B	ASN183

site_id	CC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE EDO B 509

Chain	Residue
B	ARG229

site_id	CC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO B 510

Chain	Residue
B	GLY171
B	ASP173
B	ARG204
D	ASN159

site_id	CC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO B 511

Chain	Residue
B	ARG201
B	TYR202

site_id	CC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 1LD C 501

Chain	Residue
C	HIS58
C	LEU76
C	PHE149
C	GLN151
C	ILE178
C	GLU212
C	GLU273
C	ASP308
C	SER309
C	TRP314
C	FE2502
C	HOH601

site_id	CC7
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	1LD501

site_id	CC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL C 503

Chain	Residue
C	ARG185
C	GLN217
C	ARG219
C	PHE220
C	GLU222
C	VAL223
C	HOH618
C	HOH752

site_id	CC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 504

Chain	Residue
C	ASP282
C	PRO285
C	ARG287
E	ASP282
E	PRO285
E	ARG287

site_id	DC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 505

Chain	Residue
C	ARG9
C	ARG10
C	GLN342
C	ASN379
C	ASP380

site_id	DC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACY C 506

Chain	Residue
C	PHE257
C	ARG292
C	GLU295
C	HOH607
C	HOH679

site_id	DC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO C 507

Chain	Residue
C	ASP42
C	ARG46
C	THR392
C	GLN402

site_id	DC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO C 508

Chain	Residue
C	GLY337
C	TYR338
C	HOH780
E	TRP70

site_id	DC5
Number of Residues	13
Details	BINDING SITE FOR RESIDUE 1LD D 501

Chain	Residue
D	HIS58
D	LEU76
D	PHE149
D	GLN151
D	ILE178
D	GLU212
D	GLU273
D	LEU277
D	ASP308
D	SER309
D	TRP314
D	FE2502
D	HOH608

site_id	DC6
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	1LD501

site_id	DC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL D 503

Chain	Residue
B	GLU162
D	ARG201

site_id	DC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D 504

Chain	Residue
D	ARG185
D	GLN217
D	ARG219
D	PHE220
D	GLU222
D	VAL223
D	HOH618
D	HOH713

site_id	DC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL D 505

Chain	Residue
D	ARG161
D	ASP197

site_id	EC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE ACY D 506

Chain	Residue
D	ARG292

site_id	EC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE EDO D 507

Chain	Residue
F	ARG201

site_id	EC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO D 508

Chain	Residue
C	ALA262
D	SER156
D	ASN183

site_id	EC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO D 509

Chain	Residue
D	ILE168
D	GLU169
D	ARG204

site_id	EC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 1LD E 501

Chain	Residue
E	HIS58
E	LEU76
E	GLN151
E	ILE178
E	GLU212
E	GLU273
E	ASP308
E	SER309
E	TRP314
E	FE2502
E	HOH605

site_id	EC6
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	1LD501

site_id	EC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL E 503

Chain	Residue
E	ARG185
E	GLN217
E	ARG219
E	PHE220
E	GLU222
E	VAL223
E	HOH614
E	HOH713

site_id	EC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL E 504

Chain	Residue
C	ASP327
C	ALA328
C	ILE332
E	ASP327
E	ALA328
E	HIS331
E	HOH798

site_id	EC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL E 505

Chain	Residue
B	MET33
E	ILE23
E	ASP360
E	ASN361
E	GLY367
E	ARG368
E	PRO369

site_id	FC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL E 506

Chain	Residue
E	HIS113
E	ASP143
E	ASN361
E	PRO369
E	ASN371
E	ARG395
E	HIS396
E	HOH771

site_id	FC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACY E 507

Chain	Residue
E	ARG292
E	GLU295
E	HOH708

site_id	FC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACY E 508

Chain	Residue
E	HIS180
E	ILE213
E	ASP215
E	SER218
E	HOH681
F	TYR252
F	LYS255

site_id	FC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ACY E 509

Chain	Residue
A	GLU12
E	GLN11

site_id	FC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE FLC E 510

Chain	Residue
E	LEU100
E	ASP140

site_id	FC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO E 511

Chain	Residue
B	ASP282
B	ARG287
C	HOH633
E	ASN250

site_id	FC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL F 501

Chain	Residue
D	ASP282
D	PRO285
D	ARG287
F	PRO285
F	ARG287

site_id	FC8
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 1LD F 502

Chain	Residue
F	HIS58
F	LEU76
F	PHE149
F	GLN151
F	GLU212
F	GLU273
F	ASP308
F	SER309
F	TRP314
F	FE2503
F	HOH631

site_id	FC9
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	1LD502

site_id	GC1
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	HOH604
F	HOH703

site_id	GC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACY F 505

Chain	Residue
F	ARG292
F	GLU295
F	HOH715

site_id	GC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACY F 506

Chain	Residue
F	ARG161
F	SER190
F	MET193
F	PHE194
F	ASP197
F	HOH762

site_id	GC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PEG F 507

Chain	Residue
D	ASP327
D	ALA328
D	HIS331
F	ASP327
F	ALA328
F	HIS331
F	HOH754

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