6HOO

Crystal Structure of Rationally Designed OXA-48loop18 beta-lactamase

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008658	molecular_function	penicillin binding
A	0008800	molecular_function	beta-lactamase activity
A	0017001	biological_process	antibiotic catabolic process
B	0008658	molecular_function	penicillin binding
B	0008800	molecular_function	beta-lactamase activity
B	0017001	biological_process	antibiotic catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	binding site for residue SO4 A 301

Chain	Residue
A	GLN193
A	ARG206
A	HOH410
A	HOH426
A	HOH438
A	HOH439
B	GLN193
B	ARG206

---

site_id	AC2
Number of Residues	3
Details	binding site for residue SO4 A 302

Chain	Residue
A	GLU132
A	ALA133
A	GLY131

---

site_id	AC3
Number of Residues	4
Details	binding site for residue SO4 A 303

Chain	Residue
A	ASN48
A	LYS51
A	ASN236
A	HOH422

---

site_id	AC4
Number of Residues	6
Details	binding site for residue SO4 A 304

Chain	Residue
A	VAL92
A	ARG107
A	ASP108
A	ASN110
A	THR113
B	ASP234

---

site_id	AC5
Number of Residues	8
Details	binding site for residue SO4 A 305

Chain	Residue
A	OSE70
A	SER118
A	THR209
A	GLY210
A	THR211
A	ASP250
A	ARG255
A	HOH423

---

site_id	AC6
Number of Residues	5
Details	binding site for residue GOL A 306

Chain	Residue
A	LYS23
A	TRP47
A	SER171
A	ARG174
A	HOH407

---

site_id	AC7
Number of Residues	3
Details	binding site for residue GOL A 307

Chain	Residue
A	SER184
A	GLU185
A	ARG186

---

site_id	AC8
Number of Residues	7
Details	binding site for residue GOL A 308

Chain	Residue
A	LYS94
A	TRP95
A	ASP96
A	ARG100
A	PRO121
A	GLU125
A	HOH428

---

site_id	AC9
Number of Residues	7
Details	binding site for residue GOL A 309

Chain	Residue
A	ASN200
A	GLY201
A	GLU232
A	LEU233
A	ASP234
B	ILE112
B	LYS116

---

site_id	AD1
Number of Residues	3
Details	binding site for residue SO4 B 301

Chain	Residue
B	SER184
B	GLU185
B	HOH441

---

site_id	AD2
Number of Residues	2
Details	binding site for residue SO4 B 302

Chain	Residue
A	ASP235
B	ARG107

---

site_id	AD3
Number of Residues	8
Details	binding site for residue SO4 B 303

Chain	Residue
B	OSE70
B	SER118
B	THR209
B	GLY210
B	THR211
B	LEU252
B	ARG255
B	HOH417

---

site_id	AD4
Number of Residues	4
Details	binding site for residue SO4 B 304

Chain	Residue
B	GLY131
B	GLU132
B	ALA133
B	HOH431

---

site_id	AD5
Number of Residues	3
Details	binding site for residue GOL B 305

Chain	Residue
B	THR167
B	SER171
B	ARG174

---

site_id	AD6
Number of Residues	9
Details	binding site for residue GOL B 306

Chain	Residue
A	ILE112
A	LYS116
B	ASN200
B	GLY201
B	ASP202
B	TYR203
B	GLU232
B	LEU233
B	ASP234

---

site_id	AD7
Number of Residues	8
Details	binding site for residue GOL B 307

Chain	Residue
B	LYS116
B	ALA194
B	LEU196
B	THR197
B	ALA207
B	LYS208
B	HOH404
B	HOH445

---

site_id	AD8
Number of Residues	7
Details	binding site for residue GOL B 308

Chain	Residue
B	LYS94
B	TRP95
B	ASP96
B	ARG100
B	PRO121
B	GLU125
B	HOH416

---

site_id	AD9
Number of Residues	4
Details	binding site for residue GOL B 309

Chain	Residue
B	ASN48
B	LYS51
B	ASN236
B	TRP238

---

Functional Information from PROSITE/UniProt

site_id	PS00337
Number of Residues	11
Details	BETA_LACTAMASE_D Beta-lactamase class-D active site. PaSTFKIPnSL

Chain	Residue	Details
A	PRO68-LEU78

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"description":"Acyl-ester intermediate","evidences":[{"source":"PIRSR","id":"PIRSR602137-50","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"25406838","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26731698","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"31358584","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"32150407","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4WMC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5FAQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5FAS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6P97","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6P98","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6P99","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6P9C","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6V1O","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Modified residue: {"description":"N6-carboxylysine","evidences":[{"source":"PIRSR","id":"PIRSR602137-50","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"19477418","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25406838","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3HBR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4WMC","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"Q8RLA6","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P13661","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---