4WJ7: CCM2 PTB domain

CCM2 PTB domain in complex with KRIT1 NPxY/F3. Determined by X-ray diffraction at 2.75 Å resolution. Released 24 Dec 2014.

Method: X-ray diffraction
Resolution: 2.75 Å
Organism: Homo sapiens
Chains: 8
Atoms: 4,428
Mol. weight: 83.78 kDa
Released: 24 Dec 2014

Explore 4WJ7 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4WJ7 contains 13 α-helices and 33 β-strands across 8 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: 3 helices, 7 β-strands

Element	Residues	Length	Sheet
β-strand	63-76	14	1
α-helix	85-97	13
β-strand	110-115	6	1
β-strand	119-124	6	1
β-strand	130-135	6	1
α-helix	136-138	3
β-strand	139-146	8	1
β-strand	151-157	7	1
β-strand	193-200	8	1
α-helix	203-219	17

Chain B: 3 helices, 8 β-strands

Element	Residues	Length	Sheet
β-strand	63-67	5	2
β-strand	68-76	9	3
α-helix	85-97	13
β-strand	111-115	5	2
β-strand	119-124	6	2
β-strand	130-135	6	2
α-helix	136-138	3
β-strand	139-146	8	3
β-strand	151-157	7	3
β-strand	193-200	8	3
α-helix	203-217	15

Chain C: 4 helices, 7 β-strands

Element	Residues	Length	Sheet
β-strand	63-76	14	4
α-helix	85-97	13
α-helix	107-109	3
β-strand	110-115	6	4
β-strand	119-124	6	4
β-strand	130-135	6	4
α-helix	136-138	3
β-strand	139-146	8	4
β-strand	151-157	7	4
β-strand	193-200	8	4
α-helix	203-217	15

Chain D: 3 helices, 7 β-strands

Element	Residues	Length	Sheet
β-strand	64-76	13	5
α-helix	85-97	13
β-strand	110-115	6	5
β-strand	119-124	6	5
β-strand	130-135	6	5
α-helix	136-138	3
β-strand	139-146	8	5
β-strand	151-157	7	5
β-strand	193-200	8	5
α-helix	203-216	14

Chains W, X, Y and Z: 0 helices, 1 β-strand

Element	Residues	Length	Sheet
β-strand	246-249	4	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Malcavernin	A, B, C, D	protein	180	Homo sapiens	Q9BSQ5 (AlphaFold model)
KRIT1 NPxY/F3	W, X, Y, Z	protein	13	Homo sapiens

Sequence of entity 1 (A, B, C, D), FASTA

>4WJ7_1 Malcavernin (chains A, B, C, D)
GSERVEPDRLLSDYIEKEVKYLGQLTSIPGYLNPSSRTEILHFIDNAKRAHQLPGHLTQE
HDAVLSLSAYNVKLAWRDGEDIILRVPIHDIAAVSYVRDDAAHLVVLKTAQDPGISPSQS
LCAESSRGLSAGSLSESAVGPVEACCLVILAAESKVAAEELCCLLGQVFQVVYTESTIDF

Sequence of entity 2 (W, X, Y, Z), FASTA

>4WJ7_2 KRIT1 NPxY/F3 (chains W, X, Y, Z)
VDKVVINPYFGLG

Primary citation

Structural Basis for the Disruption of the Cerebral Cavernous Malformations 2 (CCM2) Interaction with Krev Interaction Trapped 1 (KRIT1) by Disease-associated Mutations. Fisher, O.S., Liu, W., Zhang, R. et al. J Biol Chem (2015) 290:2842-2853. DOI 10.1074/jbc.M114.616433 · PubMed

Other PDB entries of the same protein (UniProt Q9BSQ5 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4FQN 1.9 Å, Crystal structure of the CCM2 C-terminal Harmonin Homology Domain (HHD)
4YKD 1.93 Å, Crystal structure of truncated cerebral cavernous malformation 2 C-terminal adaptor domain
4YL6 2.1 Å, Crystal structure of truncated cerebral cavernous malformation 2 C-terminal adaptor…
4Y5O 2.35 Å, CCM2 HHD in complex with MEKK3 NPB1
4YKC 2.7 Å, Crystal structure of cerebral cavernous malformation 2 C-terminal adaptor domain
4TVQ 2.8 Å, CCM3 in complex with CCM2 LD-like motif
9PVG 3.0 Å, Co-crystal structure of two CCM2 PTB domains bound to a KRIT1 peptide encompassing NPxF2…

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