6X8L: Caspase-7

Caspase-7 in complex with elongated ketomethylene inhibitor. Determined by X-ray diffraction at 2.45 Å resolution. Released 2 Jun 2021.

Method: X-ray diffraction
Resolution: 2.45 Å
Organisms: Homo sapiens, synthetic construct
Chains: 6
Atoms: 3,786
Mol. weight: 72.37 kDa
Released: 2 Jun 2021

Explore 6X8L in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6X8L contains 20 α-helices and 42 β-strands across 6 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 8 helices, 13 β-strands

Element	Residues	Length	Sheet
β-strand	59	1	1
β-strand	66	1	2
β-strand	69-74	6	3
α-helix	80-82	3
α-helix	84-86	3
α-helix	90-104	15
β-strand	107-112	6	3
α-helix	116-128	13
β-strand	134	1	2
β-strand	137-142	6	3
β-strand	145-146	2	4
β-strand	149-151	3	4
β-strand	156-158	3	4
α-helix	159-163	5
α-helix	164-166	3
α-helix	168-170	3
α-helix	172-174	3
β-strand	179-184	6	3
β-strand	188-190	3	5
β-strand	192	1	6
β-strand	195	1	7

Chain B: 6 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	59	1	10
β-strand	66-74	9	3
α-helix	80-82	3
α-helix	90-104	15
β-strand	106-112	7	3
α-helix	116-128	13
β-strand	134-142	9	3
β-strand	145-146	2	11
β-strand	149-151	3	11
β-strand	156-158	3	11
α-helix	159-163	5
α-helix	164-166	3
α-helix	172-174	3
β-strand	179-184	6	3
β-strand	190	1	12
β-strand	192	1	13
β-strand	195	1	8

Chain C: 3 helices, 8 β-strands

Element	Residues	Length	Sheet
β-strand	213	1	8
β-strand	219-223	5	3
β-strand	228-229	2	5
β-strand	232-234	3	9
β-strand	238-239	2	9
α-helix	240-252	13
α-helix	258-272	15
α-helix	280-282	3
β-strand	286	1	6
β-strand	290-293	4	3
β-strand	298	1	1

Chain D: 3 helices, 8 β-strands

Element	Residues	Length	Sheet
β-strand	213	1	7
β-strand	219-223	5	3
β-strand	229	1	12
β-strand	232-234	3	14
β-strand	238-239	2	14
α-helix	240-252	13
α-helix	258-272	15
α-helix	280-282	3
β-strand	286	1	13
β-strand	290-293	4	3
β-strand	298	1	10

Chains E and F: 0 helices, 1 β-strand

Element	Residues	Length	Sheet
β-strand	403-404	2	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Caspase-7	A, B	protein	198	Homo sapiens	P55210 (AlphaFold model)
Caspase-7	C, D	protein	113	Homo sapiens	P55210 (AlphaFold model)
ketomethylene inhibitor	E, F	protein	8	synthetic construct

Sequence of entity 1 (A, B), FASTA

>6X8L_1 Caspase-7 (chains A, B)
MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQY
NMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQ
DLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKL
FFIQACRGTELDDGIQAD

Sequence of entity 2 (C, D), FASTA

>6X8L_2 Caspase-7 (chains C, D)
SGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEI
MQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQLEHHHHHH

Sequence of entity 3 (E, F), FASTA

>6X8L_3 ketomethylene inhibitor (chains E, F)
XDEVXAAA

Primary citation

Caspase-7 in complex with elongated ketomethylene inhibitor. Solania, A., Xu, J.H., Wolan, D.W. To be published.

Other PDB entries of the same protein (UniProt P55210 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4JR2 1.65 Å, Human procaspase-7/caspase-7 heterodimer bound to Ac-DEVD-CMK
4JB8 1.7 Å, Caspase-7 in Complex with DARPin C7_16
2QL9 2.14 Å, Crystal Structure of Caspase-7 with inhibitor AC-DQMD-CHO
4JR1 2.15 Å, Human procaspase-7 bound to Ac-DEVD-CMK
5K20 2.2 Å, Caspase-7 S239E Phosphomimetic
2QLB 2.25 Å, Crystal Structure of caspase-7 with inhibitor AC-ESMD-CHO
4LSZ 2.26 Å, Caspase-7 in Complex with DARPin D7.18
4ZVR 2.3 Å, Caspase-7 Variant 4 (V4) with reprogrammed substrate specificity due to…
2QL5 2.34 Å, Crystal Structure of caspase-7 with inhibitor AC-DMQD-CHO
1F1J 2.35 Å, Crystal structure of caspase-7 in complex with acetyl-asp-glu-val-asp-cho
6CL2 2.35 Å, Caspase-7 in complex with Ac-ATS009-KE
1I4O 2.4 Å, Crystal structure of the xiap/caspase-7 complex

Browse structure collections

About this viewer

MolViewer shows 6X8L directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.