5DTK

Fragments bound to the OXA-48 beta-lactamase: Compound 17

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
C	0008658	molecular_function	penicillin binding
C	0008800	molecular_function	beta-lactamase activity
C	0017001	biological_process	antibiotic catabolic process
D	0008658	molecular_function	penicillin binding
D	0008800	molecular_function	beta-lactamase activity
D	0017001	biological_process	antibiotic catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue CL A 301

Chain	Residue
A	ARG206
A	HOH673
D	ARG206
D	HOH647

---

site_id	AC2
Number of Residues	4
Details	binding site for residue EDO A 302

Chain	Residue
A	ARG107
A	ASN110
A	HOH616
D	ASP229

---

site_id	AC3
Number of Residues	7
Details	binding site for residue EDO A 303

Chain	Residue
A	ASP240
A	MET241
A	PRO242
A	HOH402
A	HOH414
A	HOH489
A	SER40

---

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

Chain	Residue
A	LEU81
A	SER184
A	ARG186
A	SER187
A	HOH425
A	HOH532

---

site_id	AC5
Number of Residues	7
Details	binding site for residue EDO A 305

Chain	Residue
A	LYS94
A	TRP95
A	ASP96
A	PRO121
A	VAL122
A	HOH502
A	HOH535

---

site_id	AC6
Number of Residues	16
Details	binding site for residue 5F3 A 306

Chain	Residue
A	SER70
A	ILE102
A	THR104
A	TRP105
A	TYR117
A	VAL120
A	THR209
A	GLY210
A	TYR211
A	ARG250
A	HOH403
A	HOH404
A	HOH407
A	HOH408
A	HOH410
A	HOH690

---

site_id	AC7
Number of Residues	10
Details	binding site for residue 5F3 B 301

Chain	Residue
B	SER70
B	ILE102
B	VAL120
B	THR209
B	LEU247
B	ARG250
B	HOH403
B	HOH477
B	HOH560
B	HOH574

---

site_id	AC8
Number of Residues	4
Details	binding site for residue EDO B 302

Chain	Residue
B	THR167
B	ILE170
B	SER171
B	ARG174

---

site_id	AC9
Number of Residues	2
Details	binding site for residue EDO B 303

Chain	Residue
B	ASP229
B	HOH556

---

site_id	AD1
Number of Residues	5
Details	binding site for residue EDO B 304

Chain	Residue
B	LEU81
B	SER184
B	ARG186
B	SER187
B	HOH473

---

site_id	AD2
Number of Residues	2
Details	binding site for residue CL C 301

Chain	Residue
C	ARG206
C	HOH659

---

site_id	AD3
Number of Residues	6
Details	binding site for residue EDO C 302

Chain	Residue
A	ASN152
A	HOH444
C	ARG128
C	ASP154
C	HOH542
C	HOH603

---

site_id	AD4
Number of Residues	6
Details	binding site for residue EDO C 303

Chain	Residue
C	ALA65
C	PHE66
C	HOH422
C	HOH423
C	HOH454
C	HOH495

---

site_id	AD5
Number of Residues	7
Details	binding site for residue EDO C 304

Chain	Residue
C	LYS94
C	TRP95
C	ASP96
C	PRO121
C	VAL122
C	HOH445
C	HOH481

---

site_id	AD6
Number of Residues	6
Details	binding site for residue EDO C 305

Chain	Residue
C	LEU81
C	SER184
C	ARG186
C	SER187
C	HOH430
C	HOH433

---

site_id	AD7
Number of Residues	9
Details	binding site for residue EDO C 306

Chain	Residue
C	HOH416
C	HOH593
C	HIS38
C	LYS39
C	SER40
C	ASP240
C	MET241
C	PRO242
C	LEU249

---

site_id	AD8
Number of Residues	14
Details	binding site for residue 5F3 C 307

Chain	Residue
C	SER70
C	ILE102
C	THR104
C	TYR117
C	VAL120
C	THR209
C	GLY210
C	TYR211
C	ARG250
C	HOH401
C	HOH403
C	HOH404
C	HOH405
C	HOH406

---

site_id	AD9
Number of Residues	9
Details	binding site for residue 5F3 D 301

Chain	Residue
D	SER70
D	ILE102
D	VAL120
D	THR209
D	LEU247
D	ARG250
D	HOH401
D	HOH460
D	HOH583

---

site_id	AE1
Number of Residues	6
Details	binding site for residue EDO D 302

Chain	Residue
D	ASN32
D	PHE35
D	GLN41
D	GLY42
D	HOH496
D	HOH498

---

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	4
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	12
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"Q8RLA6","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P13661","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	4
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

---