5JSG: Spindlin1

Crystal structure of Spindlin1 bound to compound EML405. Determined by X-ray diffraction at 2.5 Å resolution. Released 10 May 2017.

Method: X-ray diffraction
Resolution: 2.5 Å
Organism: Homo sapiens
Chains: 2
Atoms: 3,343
Mol. weight: 52.29 kDa
Ligands: 6P9, MG
Released: 10 May 2017

Explore 5JSG in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5JSG contains 8 α-helices and 35 β-strands across 2 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: 4 helices, 17 β-strands

Element	Residues	Length	Sheet
β-strand	57-62	6	1
α-helix	67-69	3
β-strand	70-79	10	1
β-strand	87-91	5	1
β-strand	96	1	2
β-strand	97-100	4	1
β-strand	108-113	6	1
α-helix	126-131	6
β-strand	136-142	7	2
β-strand	148-158	11	2
α-helix	159	1
β-strand	166-170	5	2
β-strand	175	1	3
β-strand	177-179	3	2
α-helix	181-187	7
β-strand	190-192	3	2
β-strand	217-219	3	3
β-strand	229-235	7	3
β-strand	242-247	6	3
β-strand	252	1	1
β-strand	253-257	5	3

Chain B: 4 helices, 18 β-strands

Element	Residues	Length	Sheet
β-strand	56-63	8	4
β-strand	69-79	11	4
β-strand	87-91	5	4
β-strand	96	1	5
β-strand	98-100	3	4
β-strand	108-117	10	4
α-helix	118-120	3
α-helix	126-132	7
β-strand	136-142	7	5
β-strand	148-158	11	5
α-helix	159	1
β-strand	166-170	5	5
β-strand	173-174	2	5
β-strand	175	1	6
β-strand	176-179	4	5
α-helix	181-186	6
β-strand	190-193	4	5
β-strand	217-221	5	6
β-strand	227-235	9	6
β-strand	242-247	6	6
β-strand	252	1	4
β-strand	253-257	5	6

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Spindlin-1	A, B	protein	222	Homo sapiens	Q9Y657 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>5JSG_1 Spindlin-1 (chains A, B)
MHHHHHHGSRRNIVGCRIQHGWKEGNGPVTQWKGTVLDQVPVNPSLYLIKYDGFDCVYGL
ELNKDERVSALEVLPDRVATSRISDAHLADTMIGKAVEHMFETEDGSKDEWRGMVLARAP
VMNTWFYITYEKDPVLYMYQLLDDYKEGDLRIMPDSNDSPPAEREPGEVVDSLVGKQVEY
AKEDGSKRTGMVIHQVEAKPSVYFIKFDDDFHIYVYDLVKTS

Ligands and cofactors

ID	Name	Formula	Copies
6P9	[2-(phenylamino)-1,4-phenylene]bis({4-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}…	C36 H51 N5 O2	2
MG	Magnesium ion	Mg	1

Water and common crystallization additives (CL) are not listed.

Primary citation

Developing Spindlin1 small-molecule inhibitors by using protein microarrays. Bae, N., Viviano, M., Su, X. et al. Nat Chem Biol (2017) 13:750-756. DOI 10.1038/nchembio.2377 · PubMed

Other PDB entries of the same protein (UniProt Q9Y657 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7OCB 1.42 Å, Crystal structure of Spindlin1 in complex with the inhibitor XY49-92B
6I8Y 1.52 Å, Crystal structure of Spindlin1 in complex with the Methyltransferase inhibitor A366
6I8L 1.58 Å, Crystal structure of Spindlin1 in complex with the inhibitor TD001851a
6QPL 1.6 Å, Crystal structure of Spindlin1 in complex with the inhibitor MS31
7CNA 1.6 Å, Crystal structure of Spindlin1/C11orf84 complex bound to histone H3K4me3K9me3 peptide
4MZG 1.7 Å, Crystal structure of human Spindlin1 bound to histone H3K4me3 peptide
6I8B 1.76 Å, Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn
8GTX 1.8 Å, Crystal Structure of human Spindlin1-HBx complex
9T2Z 1.87 Å, Spindlin 1 with crystallization epitope mutations H127D:L128D:T131R
4H75 2.1 Å, Crystal structure of human Spindlin1 in complex with a histone H3K4(me3) peptide
4MZF 2.1 Å, Crystal structure of human Spindlin1 bound to histone H3(K4me3-R8me2a) peptide
2NS2 2.2 Å, Crystal Structure of Spindlin1

Browse structure collections

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