4DV8

Anthrax Lethal Factor metalloproteinase in complex with the Hydroxamic acid based small molecule PT8421

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008237	molecular_function	metallopeptidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 801

Chain	Residue
A	HIS686
A	HIS690
A	GLU735
A	0LX802

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site_id	AC2
Number of Residues	20
Details	BINDING SITE FOR RESIDUE 0LX A 802

Chain	Residue
A	LEU658
A	TYR659
A	VAL660
A	GLU676
A	LEU677
A	HIS686
A	GLU687
A	HIS690
A	TYR728
A	GLU735
A	GLU739
A	ZN801
A	HOH905
A	HOH1031
A	HOH1389
A	GLN642
A	GLN646
A	VAL653
A	SER655
A	GLY657

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site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MLI A 803

Chain	Residue
A	ARG502
A	ILE535
A	ARG544
A	HOH1053
A	HOH1114
A	HOH1455
A	HOH1496

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Functional Information from PROSITE/UniProt

site_id	PS00142
Number of Residues	10
Details	ZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. GFIHEFGHAV

Chain	Residue	Details
A	GLY683-VAL692

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU01339, ECO:0000269|PubMed:19651869, ECO:0000269|PubMed:9573135

Chain	Residue	Details
A	GLU687

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site_id	SWS_FT_FI2
Number of Residues	3
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01339, ECO:0000269|PubMed:11700563, ECO:0000269|PubMed:14718924, ECO:0000269|PubMed:14718925, ECO:0000269|PubMed:15911756, ECO:0000269|PubMed:22342144, ECO:0000269|PubMed:25372673, ECO:0000269|PubMed:26492514, ECO:0000269|PubMed:26578066, ECO:0007744|PDB:1J7N, ECO:0007744|PDB:1PWP, ECO:0007744|PDB:1PWQ, ECO:0007744|PDB:1PWU, ECO:0007744|PDB:1PWW, ECO:0007744|PDB:1YQY, ECO:0007744|PDB:4DV8, ECO:0007744|PDB:4PKQ, ECO:0007744|PDB:4PKR, ECO:0007744|PDB:4PKS, ECO:0007744|PDB:4PKT, ECO:0007744|PDB:4PKV, ECO:0007744|PDB:4PKW, ECO:0007744|PDB:4WF6, ECO:0007744|PDB:4XM6, ECO:0007744|PDB:4XM7, ECO:0007744|PDB:5D1S, ECO:0007744|PDB:5D1T

Chain	Residue	Details
A	HIS686
A	HIS690
A	GLU735

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site_id	SWS_FT_FI3
Number of Residues	1
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01339

Chain	Residue	Details
A	TYR728

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 641

Chain	Residue	Details
A	HIS686	metal ligand
A	GLU687	proton acceptor, proton donor
A	HIS690	metal ligand
A	TYR728	electrostatic stabiliser
A	GLU735	metal ligand

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