5HH6

Crystal structure of B3 metallo-beta-lactamase L1 in complex with a phosphonate-based inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008270	molecular_function	zinc ion binding
A	0008800	molecular_function	beta-lactamase activity
A	0016787	molecular_function	hydrolase activity
A	0017001	biological_process	antibiotic catabolic process
A	0042597	cellular_component	periplasmic space
A	0046677	biological_process	response to antibiotic
A	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	binding site for residue ZN A 401

Chain	Residue
A	HIS116
A	HIS118
A	HIS196
A	60N402
A	HOH505

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site_id	AC2
Number of Residues	16
Details	binding site for residue 60N A 402

Chain	Residue
A	HIS196
A	SER221
A	SER225
A	PRO227
A	HIS263
A	ALA266
A	ZN401
A	HOH501
A	HOH505
A	HOH508
A	HOH581
A	HOH645
A	HIS116
A	HIS118
A	ASP120
A	HIS121

---

site_id	AC3
Number of Residues	4
Details	binding site for residue SO4 A 403

Chain	Residue
A	ARG172
A	ILE180
A	THR181
A	HOH589

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site_id	AC4
Number of Residues	4
Details	binding site for residue SO4 A 404

Chain	Residue
A	ARG102
A	HOH515
A	HOH559
A	HOH621

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Functional Information from PROSITE/UniProt

site_id	PS00743
Number of Residues	21
Details	BETA_LACTAMASE_B_1 Beta-lactamases class B signature 1. LlSHaHADhaGPvaelkrrtG

Chain	Residue	Details
A	LEU113-GLY133

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	5
Details	BINDING: BINDING => ECO:0000269|PubMed:17999929, ECO:0000269|PubMed:9811546

Chain	Residue	Details
A	HIS116
A	HIS118
A	ASP120
A	HIS121
A	HIS196

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	BINDING: BINDING => ECO:0000250|UniProtKB:P25910

Chain	Residue	Details
A	ASP220

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:9811546

Chain	Residue	Details
A	HIS263

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	7
Details	M-CSA 258

Chain	Residue	Details
A	HIS116	metal ligand
A	HIS118	metal ligand
A	ASP120	metal ligand
A	HIS121	metal ligand
A	HIS196	metal ligand
A	TYR229	electrostatic stabiliser, hydrogen bond donor
A	HIS263	metal ligand

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