1KRC

CRYSTAL STRUCTURE OF KLEBSIELLA AEROGENES UREASE, ITS APOENZYME AND TWO ACTIVE SITE MUTANTS

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0009039	molecular_function	urease activity
A	0016151	molecular_function	nickel cation binding
A	0016787	molecular_function	hydrolase activity
A	0019627	biological_process	urea metabolic process
A	0043419	biological_process	urea catabolic process
B	0005737	cellular_component	cytoplasm
B	0009039	molecular_function	urease activity
B	0016787	molecular_function	hydrolase activity
B	0035550	cellular_component	urease complex
B	0043419	biological_process	urea catabolic process
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0009039	molecular_function	urease activity
C	0016151	molecular_function	nickel cation binding
C	0016787	molecular_function	hydrolase activity
C	0016810	molecular_function	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
C	0043419	biological_process	urea catabolic process
C	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE NI C 574

Chain	Residue
C	HIS219
C	HIS246
C	HIS272
C	GLY277
C	NI575
C	CO2576
C	HOH577

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site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NI C 575

Chain	Residue
C	HIS134
C	HIS136
C	ASP360
C	NI574
C	CO2576
C	HOH577

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site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE CO2 C 576

Chain	Residue
C	HIS134
C	HIS136
C	THR169
C	LYS217
C	HIS219
C	HIS246
C	PHE271
C	HIS272
C	NI574
C	NI575

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site_id	ACT
Number of Residues	2
Details	RESIDUES IMPLICATED IN CATALYSIS

Chain	Residue
C	HIS219
C	ALA320

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site_id	NIL
Number of Residues	9
Details	NICKEL METALLOCENTER

Chain	Residue
C	HIS134
C	HIS136
C	LYS217
C	HIS246
C	HIS272
C	ASP360
C	NI574
C	NI575
A	MET1

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Functional Information from PROSITE/UniProt

site_id	PS01120
Number of Residues	14
Details	UREASE_1 Urease nickel ligands signature. TAGGIDtHIHwicP

Chain	Residue	Details
C	THR127-PRO140

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton donor

Chain	Residue	Details
C	ALA320

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site_id	SWS_FT_FI2
Number of Residues	6
Details	BINDING:

Chain	Residue	Details
C	HIS134
C	HIS136
C	HIS219
C	HIS246
C	HIS272
C	ASP360

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site_id	SWS_FT_FI3
Number of Residues	1
Details	BINDING: via carbamate group

Chain	Residue	Details
C	LYS217

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site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: N6-carboxylysine => ECO:0000255|HAMAP-Rule:MF_01953, ECO:0000269|PubMed:10913264, ECO:0000269|PubMed:7754395, ECO:0000269|PubMed:8702515, ECO:0000269|PubMed:8718850

Chain	Residue	Details
C	LYS217

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 1kra

Chain	Residue	Details
C	ASP221
C	ALA320
C	ARG336
C	HIS219

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site_id	MCSA1
Number of Residues	10
Details	M-CSA 87

Chain	Residue	Details
C	HIS134	metal ligand
C	ASP360	activator, metal ligand
C	HIS136	metal ligand
C	LYS217	activator, metal ligand
C	HIS219	proton acceptor, proton donor, proton relay
C	ASP221	activator, proton acceptor, proton donor
C	HIS246	metal ligand
C	HIS272	metal ligand
C	ALA320	proton acceptor, proton donor
C	ARG336	activator

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