Structure for pepstatin (A01.001 inhibitor)

Summary Structure Literature

PDB	Organism	Resolution	Comment
1LS5_A	Plasmodium falciparum	2.80 Å	complex with pepstatin A
Active site residues are shown in ball-and-stick representation: Asp155 and Asp335 in pink, and Tyr198 in green.

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1LYB	Homo sapiens	2.50 Å	complex with pepstatin
Active site residues are shown in ball-and-stick representation: Asp97 and Asp295 in pink, and Tyr142 in green. Carbohydrates are shown as CPK spheres in yellow. Pepstatin is shown in grey in ball-and-stick representation.

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1PSO	Homo sapiens	2.00 Å	pepsin 3A; complex with pepstatin
Active site residues are shown in ball-and-stick representation: Asp94 and Asp277 in pink, and Tyr137 in green. Pepstatin is shown in grey in ball-and-stick representation.

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1QS8	Plasmodium vivax	2.50 Å	complex with pepstatin A inhibitor
Active site residues are shown in ball-and-stick representation: Asp157 and Asp337 in pink, and Tyr200 in green. Pepstatin A is shown in grey in ball-and-stick representation.

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1SME	Plasmodium falciparum	2.70 Å	complex with pepstatin A
One molecule of the dimer is shown. Active site residues are shown in ball-and-stick representation: Asp158 and Asp338 in pink, Tyr201 in green. Pepstatin is shown in grey in ball-and-stick representation.

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2H6T_A	Candida albicans	1.90 Å	complex with pepstatin A
Active site residues are shown in ball-and-stick representation: Asp90 and Asp141 in pink and Tyr274 in green. Bound inhibitor pepstatin is shown in grey ball-and-stick representation.

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2QZX	Candida albicans	2.50 Å	complex with pepstatin A
One moleculae of the dimer is shown. Active site residues are shown in ball-and-stick representation: Asp108 and Asp160 in pink, and Tyr218 in green. Bound inhibitor is shown in green in ball-and-stick representation.

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3C9Y	Trichoderma reesei	1.85 Å	complex with pepstatin A
Active site residues are shown in ball-and-stick representation: Asp113 and Asp297 in pink and Tyr297 in green. The bound inhibitor pepstatin A is shown in grey ball-and-stick representation.

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3FV3	Candida parapsilosis	1.85 Å	complex with pepstatin
Active site residues are shown in ball-and-stick representation: Asp94 and Asp282 in pink, and Tyr140 in green.

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4ER2	Cryphonectria parasitica	2.00 Å	complex with pepstatin
Active site residues are shown in ball-and-stick representation: Asp124 and Asp308 in pink, Tyr168 in green. Pepstatin is shown in grey in ball-and-stick representation.

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5HVP	human immunodeficiency virus 1	2.00 Å	complex with acetyl-pepstatin
The dimer is shown. The active site residue Asp93 is shown in ball-and-stick representation in pink (one from each monomer).

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6APR	Rhizopus microsporus	2.50 Å	complex with pepstatin
Active site residues are shown in ball-and-stick representation: Asp103 and Asp286 in pink, Tyr145 in green. Pepstatin is shown in grey in ball-and-stick representation.

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TERTIARY STRUCTURE DATA
Comment	Resolution	PDB	PDBe	SCOP	CATH	PDBSum	Proteopedia	Reference
aspergillopepsin I ( Aspergillus niger)
mature SMI	1.90 Å	1IZE	1IZE	1IZE	1IZE	1IZE	1IZE	Kamitori et al., 2003
subfamily A1A unassigned peptidases ( Aspergillus oryzae)
mature SMI	1.90 Å	1IZE	1IZE	1IZE	1IZE	1IZE	1IZE	Kamitori et al., 2003
chymosin ( Bos taurus)
complex with pepstatin	1.60 Å	4AUC	4AUC	4AUC	4AUC	4AUC	4AUC
candidapepsin SAP3 ( Candida albicans)
complex with pepstatin A	1.90 Å	2H6T	2H6T	2H6T	2H6T	2H6T	2H6T	Borelli et al., 2007
candidapepsin SAP5 ( Candida albicans)
complex with pepstatin A	2.50 Å	2QZX	2QZX	2QZX	2QZX	2QZX	2QZX	Borelli et al., 2008
candiparapsin ( Candida parapsilosis)
complex with pepstatin	1.85 Å	3FV3	3FV3	3FV3	3FV3	3FV3	3FV3	Dostal et al., 2009
endothiapepsin ( Cryphonectria parasitica)
complex with pepstatin	2.00 Å	4ER2	4ER2	4ER2	4ER2	4ER2	4ER2	Pearl & Blundell, 1984
cathepsin D ( Homo sapiens)
complex with pepstatin	2.50 Å	1LYB	1LYB	1LYB	1LYB	1LYB	1LYB	Baldwin et al., 1993
pepsin A ( Homo sapiens)
pepsin 3A; complex with pepstatin	2.00 Å	1PSO	1PSO	1PSO	1PSO	1PSO	1PSO	Fujinaga et al., 1995
pepsin A4 ( Homo sapiens)
pepsin 3A; complex with pepstatin	2.00 Å	1PSO	1PSO	1PSO	1PSO	1PSO	1PSO	Fujinaga et al., 1995
HIV-1 retropepsin ( human immunodeficiency virus 1)
dimer in closed form with pepstatin in active site and fragment 1f1 in the outside/top of flap	1.10 Å	4EJD	4EJD	4EJD	4EJD	4EJD	4EJD
dimer in closed form with pepstatin in active site and fragment 1f1-n in the outside/top of flap	1.79 Å	4EJK	4EJK	4EJK	4EJK	4EJK	4EJK
dimer in closed form with pepstatin in active site and fragment ak-2097 in the outside/top of flap	2.18 Å	4TVG	4TVG	4TVG	4TVG	4TVG	4TVG
complex with acetyl-pepstatin	2.00 Å	5HVP	5HVP	5HVP	5HVP	5HVP	5HVP	Fitzgerald et al., 1990
subfamily A1A unassigned peptidases ( Ixodes ricinus)
complex with the inhibitor pepstatin a	1.45 Å	5N7Q	5N7Q	5N7Q	5N7Q	5N7Q	5N7Q
murine leukemia virus-type retropepsin ( Moloney murine leukemia virus)
peptidase domain only; complex with pepstatin	1.50 Å	3SM1	3SM1	3SM1	3SM1	3SM1	3SM1	Li et al., 2011
complex with acetyl-pepstatin	2.00 Å	4EXH	4EXH	4EXH	4EXH	4EXH	4EXH
plasmepsin-4 ( Plasmodium falciparum)
complex with pepstatin A	2.80 Å	1LS5	1LS5	1LS5	1LS5	1LS5	1LS5	Asojo et al., 2003
plasmepsin-2 ( Plasmodium falciparum)
complex with pepstatin A	2.40 Å	1M43	1M43	1M43	1M43	1M43	1M43
complex with pepstatin A	2.70 Å	1SME	1SME	1SME	1SME	1SME	1SME	Silva et al., 1996
complex with pepstatin A	2.70 Å	1W6I	1W6I	1W6I	1W6I	1W6I	1W6I
complex with pepstatin A	1.70 Å	1XDH	1XDH	1XDH	1XDH	1XDH	1XDH
histoaspartic peptidase (Plasmodium falciparum) ( Plasmodium falciparum)
complex with pepstatin A	0.00 Å	3FNT	3FNT	3FNT	3FNT	3FNT	3FNT	Bhaumik et al., 2009
plasmepsin (Plasmodium sp.) ( Plasmodium vivax)
complex with pepstatin A inhibitor	2.50 Å	1QS8	1QS8	1QS8	1QS8	1QS8	1QS8	Bernstein et al., 2003
mucorpepsin ( Rhizomucor miehei)
complex with pepstatin A	2.70 Å	2RMP	2RMP	2RMP	2RMP	2RMP	2RMP	Yang & Quail, 1999
rhizopuspepsin ( Rhizopus microsporus)
complex with pepstatin	2.50 Å	6APR	6APR	6APR	6APR	6APR	6APR	Suguna et al., 1992
trichodermapepsin ( Trichoderma reesei)
complex with pepstatin A	1.85 Å	3C9Y	3C9Y	3C9Y	3C9Y	3C9Y	3C9Y	Nascimento et al., 2008
complex with pepstatin A	1.85 Å	3EMY	3EMY	3EMY	3EMY	3EMY	3EMY	Nascimento et al., 2008