5OL4

1.28 A resolution of Sporosarcina pasteurii urease inhibited in the presence of NBPT

Functional Information from GO Data

Chain	GOid	namespace	contents
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	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	0019627	biological_process	urea metabolic process
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	8
Details	binding site for residue EDO A 201

Chain	Residue
A	ASN4
A	ALA6
A	LYS10
A	HOH301
A	HOH310
C	PHE568
C	PHE570
C	HOH923

---

site_id	AC2
Number of Residues	5
Details	binding site for residue EDO A 202

Chain	Residue
A	TYR32
A	ASP79
A	HOH331
C	HOH958
A	CXM1

---

site_id	AC3
Number of Residues	7
Details	binding site for residue EDO A 203

Chain	Residue
A	GLY50
A	LYS51
A	MET55
A	HOH306
B	GLY80
B	HOH402
B	HOH466

---

site_id	AC4
Number of Residues	9
Details	binding site for residue EDO A 204

Chain	Residue
A	GLY50
A	LYS51
A	THR52
A	PHE86
A	PRO87
A	ASP88
C	VAL309
C	ASN310
C	LYS559

---

site_id	AC5
Number of Residues	7
Details	binding site for residue EDO A 205

Chain	Residue
A	SER41
A	PHE42
A	GLU45
A	HOH302
A	HOH303
A	HOH370
A	HOH373

---

site_id	AC6
Number of Residues	4
Details	binding site for residue EDO A 206

Chain	Residue
A	LYS8
A	GLN12
A	GLN12
A	HOH317

---

site_id	AC7
Number of Residues	4
Details	binding site for residue EDO A 207

Chain	Residue
A	HIS62
A	SER100
A	HOH321
C	PRO330

---

site_id	AC8
Number of Residues	6
Details	binding site for residue EDO B 201

Chain	Residue
B	HOH340
C	ASP286
C	ALA289
C	ILE537
C	ILE539
C	HOH1163

---

site_id	AC9
Number of Residues	5
Details	binding site for residue EDO B 202

Chain	Residue
B	ASP101
C	PRO229
C	HOH940
C	HOH1116
C	HOH1218

---

site_id	AD1
Number of Residues	3
Details	binding site for residue EDO B 203

Chain	Residue
B	PHE97
B	HOH320
B	HOH349

---

site_id	AD2
Number of Residues	2
Details	binding site for residue SO4 B 204

Chain	Residue
B	ARG116
B	HOH393

---

site_id	AD3
Number of Residues	6
Details	binding site for residue NI C 601

Chain	Residue
C	KCX220
C	HIS222
C	HIS249
C	HIS275
C	GLY280
C	9XN612

---

site_id	AD4
Number of Residues	5
Details	binding site for residue NI C 602

Chain	Residue
C	HIS137
C	HIS139
C	KCX220
C	ASP363
C	9XN612

---

site_id	AD5
Number of Residues	6
Details	binding site for residue EDO C 603

Chain	Residue
C	ASP34
C	THR36
C	TYR38
C	HOH741
C	HOH840
C	HOH947

---

site_id	AD6
Number of Residues	6
Details	binding site for residue EDO C 604

Chain	Residue
B	PRO39
B	ARG76
B	GLU78
C	ASP337
C	TYR544
C	HOH719

---

site_id	AD7
Number of Residues	6
Details	binding site for residue EDO C 605

Chain	Residue
C	TYR93
C	GLU423
C	GLN501
C	ARG513
C	ILE514
C	HOH1124

---

site_id	AD8
Number of Residues	7
Details	binding site for residue EDO C 606

Chain	Residue
C	TYR35
C	TYR83
C	ILE97
C	GLU429
C	HOH773
C	HOH968
C	HOH986

---

site_id	AD9
Number of Residues	5
Details	binding site for residue EDO C 607

Chain	Residue
C	HOH847
C	HOH1202
C	THR516
C	LYS518
C	HOH794

---

site_id	AE1
Number of Residues	3
Details	binding site for residue EDO C 608

Chain	Residue
C	PRO143
C	GLY189
C	ARG478

---

site_id	AE2
Number of Residues	4
Details	binding site for residue EDO C 609

Chain	Residue
C	VAL309
C	PRO557
C	HOH787
C	HOH1169

---

site_id	AE3
Number of Residues	7
Details	binding site for residue SO4 C 610

Chain	Residue
C	VAL558
C	LYS559
C	GLU560
C	HOH709
C	HOH905
C	HOH946
C	HOH1062

---

site_id	AE4
Number of Residues	3
Details	binding site for residue SO4 C 611

Chain	Residue
C	LYS511
C	LYS511
C	LYS511

---

site_id	AE5
Number of Residues	15
Details	binding site for residue 9XN C 612

Chain	Residue
C	HIS137
C	HIS139
C	ALA170
C	KCX220
C	HIS222
C	HIS249
C	HIS275
C	GLY280
C	HIS323
C	ARG339
C	ASP363
C	ALA366
C	MET367
C	NI601
C	NI602

---

Functional Information from PROSITE/UniProt

site_id	PS00145
Number of Residues	17
Details	UREASE_2 Urease active site. MVCHHLkqnIpeDVaFA

Chain	Residue	Details
C	MET320-ALA336

---

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

Chain	Residue	Details
C	THR130-PRO143

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton donor => ECO:0000305

Chain	Residue	Details
C	HIS323

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01953, ECO:0000269|PubMed:10368287, ECO:0000269|PubMed:10766443, ECO:0000269|PubMed:11713685, ECO:0000269|PubMed:15038715, ECO:0000269|PubMed:30969470, ECO:0000269|DOI:10.1007/s007750050231

Chain	Residue	Details
C	HIS137
C	HIS275
C	ASP363

---

site_id	SWS_FT_FI3
Number of Residues	5
Details	BINDING: BINDING => ECO:0000269|PubMed:30969470

Chain	Residue	Details
C	HIS139
C	ALA170
C	HIS222
C	HIS249
C	ALA366

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	BINDING: via carbamate group => ECO:0000255|HAMAP-Rule:MF_01953, ECO:0000269|PubMed:10368287, ECO:0000269|PubMed:10766443, ECO:0000269|PubMed:11713685, ECO:0000269|PubMed:15038715, ECO:0000269|PubMed:30969470, ECO:0000269|DOI:10.1007/s007750050231

Chain	Residue	Details
C	KCX220

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	MOD_RES: N6-carboxylysine => ECO:0000255|HAMAP-Rule:MF_01953, ECO:0000269|PubMed:10368287, ECO:0000269|PubMed:10766443, ECO:0000269|PubMed:11713685, ECO:0000269|PubMed:15038715, ECO:0000269|PubMed:30969470, ECO:0000269|DOI:10.1007/s007750050231, ECO:0007744|PDB:1IE7, ECO:0007744|PDB:1S3T, ECO:0007744|PDB:1UBP, ECO:0007744|PDB:2UBP, ECO:0007744|PDB:4UBP

Chain	Residue	Details
C	KCX220

---