Structure for peptidase M04.001: thermolysin

Summary Alignment Tree Sequences Sequence features Distribution Structure Literature Substrates Pharma

PDB	Organism	Resolution	Comment
1NPC	Bacillus cereus	2.00 Å	mature
The catalytic zinc is shown as a light grey CPK sphere. Structural calcium ions are shown as yellow CPK spheres. The zinc ligands are shown in ball-and-stick representation: His392 and His396 in purple and Glu416 in blue. The catalytic Glu393 is shown in blue.

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1TLP	Bacillus thermoproteolyticus	2.30 Å	complex with phosphoramidon
The catalytic zinc is shown as a light grey CPK sphere. The zinc ligands are shown in ball-and-stick representation: His374 and His378 in purple and Glu398 in blue. The catalytic Glu375 is shown in blue. Phosphoramidon is shown in grey.

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TERTIARY STRUCTURE DATA
Comment	Resolution	PDB	PDBe	SCOP	CATH	PDBSum	Proteopedia	Reference
Bacillus cereus
Glu144Ser mutant	2.80 Å	1ESP	1ESP	1ESP	1ESP	1ESP	1ESP	Lister et al., 1996
mature peptidase	2.00 Å	1NPC	1NPC	1NPC	1NPC	1NPC	1NPC	Stark et al., 1992
Bacillus thermoproteolyticus
50% acetone soaked crystals	2.00 Å	1FJ3	1FJ3	1FJ3	1FJ3	1FJ3	1FJ3	English et al., 2001
60% acetone soaked crystals	2.00 Å	1FJO	1FJO	1FJO	1FJO	1FJO	1FJO	English et al., 2001
mature peptidase	1.70 Å	1FJQ	1FJQ	1FJQ	1FJQ	1FJQ	1FJQ	English et al., 2001
mature peptidase	2.20 Å	1FJT	1FJT	1FJT	1FJT	1FJT	1FJT	English et al., 2001
80% acetonitrile soaked crystals	2.00 Å	1FJU	1FJU	1FJU	1FJU	1FJU	1FJU	English et al., 2001
mature peptidase	2.00 Å	1FJV	1FJV	1FJV	1FJV	1FJV	1FJV	English et al., 2001
50 mm phenol soaked	1.90 Å	1FJW	1FJW	1FJW	1FJW	1FJW	1FJW	English et al., 2001
crystallized in presence of potassium thiocyanate	2.18 Å	1GXW	1GXW	1GXW	1GXW	1GXW	1GXW	Gaucher et al., 2002
complex with benzylsuccinic acid	1.70 Å	1HYT	1HYT	1HYT	1HYT	1HYT	1HYT	Hausrath & Matthews, 1994
mature peptidase	1.60 Å	1KEI	1KEI	1KEI	1KEI	1KEI	1KEI
complex with Z-Thr	1.60 Å	1KJ0	1KJ0	1KJ0	1KJ0	1KJ0	1KJ0	Gaspari et al., 2002
complex with Z-Thr	1.60 Å	1KJO	1KJO	1KJO	1KJO	1KJO	1KJO
complex with Z-Glu	1.60 Å	1KJP	1KJP	1KJP	1KJP	1KJP	1KJP
complex with Z-Asp	1.60 Å	1KKK	1KKK	1KKK	1KKK	1KKK	1KKK
complex with Z-Ala	1.80 Å	1KL6	1KL6	1KL6	1KL6	1KL6	1KL6
complex with Z-D-Glu	1.80 Å	1KR6	1KR6	1KR6	1KR6	1KR6	1KR6
complex with Z-D-Thr	1.70 Å	1KRO	1KRO	1KRO	1KRO	1KRO	1KRO
complex with Z-D-Asp	1.70 Å	1KS7	1KS7	1KS7	1KS7	1KS7	1KS7
complex with Z-D-Ala	1.90 Å	1KTO	1KTO	1KTO	1KTO	1KTO	1KTO
mature peptidase	2.30 Å	1L3F	1L3F	1L3F	1L3F	1L3F	1L3F	Hausrath & Matthews, 2002
complex with cobalt	1.90 Å	1LNA	1LNA	1LNA	1LNA	1LNA	1LNA	Holland et al., 1995
complex with iron	1.80 Å	1LNB	1LNB	1LNB	1LNB	1LNB	1LNB	Holland et al., 1995
complex with manganese	1.80 Å	1LNC	1LNC	1LNC	1LNC	1LNC	1LNC	Holland et al., 1995
complex with zinc	1.70 Å	1LND	1LND	1LND	1LND	1LND	1LND	Holland et al., 1995
complex with cadmium	1.70 Å	1LNE	1LNE	1LNE	1LNE	1LNE	1LNE	Holland et al., 1995
mature peptidase	1.70 Å	1LNF	1LNF	1LNF	1LNF	1LNF	1LNF	Holland et al., 1995
complex with N-(2R)-3-[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]- 2-benzylpropanoyl-L-phenylalanine	2.10 Å	1OS0	1OS0	1OS0	1OS0	1OS0	1OS0	Selkti et al., 2003
complex with tricyclic inhibitor	1.70 Å	1PE5	1PE5	1PE5	1PE5	1PE5	1PE5
complex with bicyclic inhibitor	1.82 Å	1PE7	1PE7	1PE7	1PE7	1PE7	1PE7
complex with monocyclic inhibitor	1.80 Å	1PE8	1PE8	1PE8	1PE8	1PE8	1PE8
complex with (2-sulphanyl-3-phenylpropanoyl)-Phe-Tyr	2.20 Å	1QF0	1QF0	1QF0	1QF0	1QF0	1QF0	Gaucher et al., 1999
complex with (2-sulphanylheptanoyl)-Phe-Ala	2.00 Å	1QF1	1QF1	1QF1	1QF1	1QF1	1QF1	Gaucher et al., 1999
complex with (2-sulphanyl-3-phenylpropanoyl)-Gly-(5-phenylPro)	2.06 Å	1QF2	1QF2	1QF2	1QF2	1QF2	1QF2	Gaucher et al., 1999
complex with N-(1-(2(R,S)-carboxy-4-phenylbutyl)cyclopentylcarbonyl)-(S)-Trp (CCT)	1.70 Å	1THL	1THL	1THL	1THL	1THL	1THL	Holland et al., 1994
mature peptidase	2.05 Å	1TLI	1TLI	1TLI	1TLI	1TLI	1TLI	English et al., 1999
complex with phosphoramidon	2.30 Å	1TLP	1TLP	1TLP	1TLP	1TLP	1TLP	Tronrud et al., 1986
mature peptidase	2.10 Å	1TLX	1TLX	1TLX	1TLX	1TLX	1TLX	English et al., 1999
complex with N-(1-carboxy-3-phenylpropyl)-L-Leu-L-Trp	1.90 Å	1TMN	1TMN	1TMN	1TMN	1TMN	1TMN	Monzingo & Matthews, 1984
NMR structure; fragment 255-316	0.00 Å	1TRL	1TRL	1TRL	1TRL	1TRL	1TRL	Rico et al., 1994
complex with a silanediol inhibitor (2S)-2-[(aminomethyl)(dihydroxy)silyl]methyl-4-methylpentanal	2.10 Å	1Y3G	1Y3G	1Y3G	1Y3G	1Y3G	1Y3G	Juers et al., 2005
complex with the inhibitor (R)-retro-thiorphan	1.70 Å	1Z9G	1Z9G	1Z9G	1Z9G	1Z9G	1Z9G	Roderick et al., 1989
complex with the inhibitor (S)-thiorphan	1.70 Å	1ZDP	1ZDP	1ZDP	1ZDP	1ZDP	1ZDP	Roderick et al., 1989
mature peptidase	1.85 Å	2A7G	2A7G	2A7G	2A7G	2A7G	2A7G	Mueller-Dieckmann et al., 2005
mature peptidase	1.98 Å	2G4Z	2G4Z	2G4Z	2G4Z	2G4Z	2G4Z	Mueller-Dieckmann et al., 2007
5% isopropanol soaked crystals	1.95 Å	2TLI	2TLI	2TLI	2TLI	2TLI	2TLI	English et al., 1999
mature peptidase	1.65 Å	2TLX	2TLX	2TLX	2TLX	2TLX	2TLX	English et al., 1999
complex with N-phosphoryl-L-leucinamide	1.60 Å	2TMN	2TMN	2TMN	2TMN	2TMN	2TMN	Tronrud et al., 1986
complex with inducible metalloproteinase inhibitor (Galleria mellonella)	1.80 Å	3SSB	3SSB	3SSB	3SSB	3SSB	3SSB	Arolas et al., 2011
10% isopropanol soaked crystals	1.95 Å	3TLI	3TLI	3TLI	3TLI	3TLI	3TLI	English et al., 1999
complex with Val-Trp	1.70 Å	3TMN	3TMN	3TMN	3TMN	3TMN	3TMN	Holden & Matthews, 1988
mature peptidase	1.95 Å	4TLI	4TLI	4TLI	4TLI	4TLI	4TLI	English et al., 1999
complex with L-Leu-hydroxylamine	2.30 Å	4TLN	4TLN	4TLN	4TLN	4TLN	4TLN	Holmes & Matthews, 1981
complex with CBZ-Phe-P-Leu-Ala	1.70 Å	4TMN	4TMN	4TMN	4TMN	4TMN	4TMN	Holden et al., 1987
60% isopropanol soaked crystals	2.10 Å	5TLI	5TLI	5TLI	5TLI	5TLI	5TLI	English et al., 1999
complex with HONH-benzylmalonyl-L-Ala-Gly-pNA	2.30 Å	5TLN	5TLN	5TLN	5TLN	5TLN	5TLN	Holmes & Matthews, 1981
complex with CBZ-Gly-P-Leu-Leu	1.60 Å	5TMN	5TMN	5TMN	5TMN	5TMN	5TMN	Holden et al., 1987
60% isopropanol soaked crystals	2.10 Å	6TLI	6TLI	6TLI	6TLI	6TLI	6TLI	English et al., 1999
complex with CBZ-Gly-P-(O)-Leu-Leu	1.60 Å	6TMN	6TMN	6TMN	6TMN	6TMN	6TMN	Tronrud et al., 1987
90% isopropanol soaked crystals	1.95 Å	7TLI	7TLI	7TLI	7TLI	7TLI	7TLI	English et al., 1999
complex with CH2CO(N-OH)Leu-OCH3	2.30 Å	7TLN	7TLN	7TLN	7TLN	7TLN	7TLN	Holmes et al., 1983
theoretical model; complex with Gly-TPH-Leu-Leu	0.00 Å	7TMN	7TMN	7TMN	7TMN	7TMN	7TMN
mature peptidase	2.20 Å	8TLI	8TLI	8TLI	8TLI	8TLI	8TLI	English et al., 1999
complex with Val-Lys	1.60 Å	8TLN	8TLN	8TLN	8TLN	8TLN	8TLN	Holland et al., 1992
Geobacillus stearothermophilus
sfx structure	2.25 Å	5DLH	5DLH	5DLH	5DLH	5DLH	5DLH
sfx liganded form with oil-based carrier	2.00 Å	5WR2	5WR2	5WR2	5WR2	5WR2	5WR2
sfx liganded form with water-based carrier	2.10 Å	5WR3	5WR3	5WR3	5WR3	5WR3	5WR3
sfx unliganded form with oil-based carrier	2.10 Å	5WR4	5WR4	5WR4	5WR4	5WR4	5WR4
liganded form with cryo condition 1	1.90 Å	5WR5	5WR5	5WR5	5WR5	5WR5	5WR5
liganded form with cryo condition 2	2.30 Å	5WR6	5WR6	5WR6	5WR6	5WR6	5WR6
C-terminal fragment; complex with daip	1.70 Å	6FHP	6FHP	6FHP	6FHP	6FHP	6FHP
tce-treated	1.39 Å	6FSM	6FSM	6FSM	6FSM	6FSM	6FSM
Thermus thermophilus
acoustic injectors for drop-on-demand serial femtosecond crystallography	2.52 Å	5HQD	5HQD	5HQD	5HQD	5HQD	5HQD