6G34: Haspin

Crystal structure of haspin in complex with 5-iodotubercidin. Determined by X-ray diffraction at 1.76 Å resolution. Released 18 Apr 2018.

Method: X-ray diffraction
Resolution: 1.76 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,872
Mol. weight: 41.56 kDa
Ligands: 5ID, PO4
Released: 18 Apr 2018

Explore 6G34 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6G34 contains 19 α-helices and 20 β-strands across 1 chain. 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: 19 helices, 20 β-strands

Element	Residues	Length	Sheet
β-strand	32	1	1
α-helix	34-37	4
α-helix	40-44	5
β-strand	47-52	6	1
β-strand	55-62	8	1
β-strand	65-74	10	1
β-strand	79-80	2	2
β-strand	83-84	2	2
α-helix	85	1
β-strand	86	1	1
α-helix	87	1
α-helix	88-103	16
α-helix	104-106	3
β-strand	111	1	3
β-strand	115	1	4
α-helix	116-117	2
β-strand	118-125	8	1
α-helix	128-129	2
α-helix	130-142	13
α-helix	148-149	2
β-strand	158-165	8	1
β-strand	169-170	2	4
α-helix	181-202	22
β-strand	205	1	5
α-helix	211-213	3
β-strand	214-218	5	4
β-strand	223-228	6	3
β-strand	231-236	6	3
β-strand	240-244	5	4
β-strand	251	1	5
β-strand	252-254	3	6
β-strand	257-259	3	6
α-helix	268-270	3
α-helix	276-288	13
α-helix	298-313	16
α-helix	324-339	16
α-helix	340-342	3
α-helix	346-352	7
α-helix	354-356	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Serine/threonine-protein kinase haspin	A	protein	357	Homo sapiens	Q8TF76 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6G34_1 Serine/threonine-protein kinase haspin (chains A)
MHHHHHHSSGVDLGTENLYFQSMGECSQKGPVPFSHCLPTEKLQRCEKIGEGVFGEVFQT
IADHTPVAIKIIAIEGPDLVNGSHQKTFEEILPEIIISKELSLLSGEVCNRTEGFIGLNS
VHCVQGSYPPLLLKAWDHYNSTKGSANDRPDFFKDDQLFIVLEFEFGGIDLEQMRTKLSS
LATAKSILHQLTASLAVAEASLRFEHRDLHWGNVLLKKTSLKKLHYTLNGKSSTIPSCGL
QVSIIDYTLSRLERDGIVVFCDVSMDEDLFTGDGDYQFDIYRLMKKENNNRWGEYHPYSN
VLWLHYLTDKMLKQMTFKTKCNTPAMKQIKRKIQEFHRTMLNFSSATDLLCQHSLFK

Ligands and cofactors

ID	Name	Formula	Copies
5ID	(2R,3R,4S,5R)-2-(4-amino-5-iodo-7H-PYRROLO[2,3-d]pyrimidin-7-yl)-5-(hydroxymeth…	C11 H13 I N4 O4	1
PO4	Phosphate ion	O4 P	1

Water and common crystallization additives (IOD, EPE) are not listed.

Primary citation

Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times. Heroven, C., Georgi, V., Ganotra, G.K. et al. Angew Chem Int Ed Engl (2018) 57:7220-7224. DOI 10.1002/anie.201801666 · PubMed

Other PDB entries of the same protein (UniProt Q8TF76 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4QTC 1.4 Å, Structure of human haspin (GSG2) in complex with SCH772984 revealing the first type-I…
6G3A 1.43 Å, Crystal structure of haspin F605T mutant in complex with 5-iodotubercidin
6G39 1.45 Å, Crystal structure of haspin F605Y mutant in complex with 5-iodotubercidin
6G36 1.46 Å, Crystal structure of haspin in complex with 5-chlorotubercidin
6G38 1.47 Å, Crystal structure of haspin in complex with tubercidin
6G37 1.48 Å, Crystal structure of haspin in complex with 5-fluorotubercidin
5HTC 1.5 Å, Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3372
6Z57 1.5 Å, Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004078
6Z5E 1.5 Å, Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004093
6G35 1.55 Å, Crystal structure of haspin in complex with 5-bromotubercidin
6Z5A 1.55 Å, Crystal structure of haspin (GSG2) in complex with macrocycle ODS2002941
7AVQ 1.65 Å, Crystal structure of haspin in complex with disubstituted imidazo[1,2- b]pyridazine…

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