7TUN: Creatine kinase B-type

Crystal structure analysis of human CKB complex with a covalent compound. Determined by X-ray diffraction at 2.93 Å resolution. Released 15 Feb 2023.

Method: X-ray diffraction
Resolution: 2.93 Å
Organism: Homo sapiens
Chains: 2
Atoms: 5,710
Mol. weight: 90.46 kDa
Ligands: KLU
Released: 15 Feb 2023

Explore 7TUN in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7TUN contains 35 α-helices and 30 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: 18 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	6-12	7
α-helix	16-19	4
α-helix	29-33	5
α-helix	36-42	7
β-strand	46	1	1
β-strand	52	1	1
α-helix	53-62	10
α-helix	81-84	4
α-helix	86-96	11
α-helix	112-114	3
β-strand	126-135	10	2
β-strand	137	1	3
α-helix	148-164	17
α-helix	167-169	3
β-strand	171-175	5	2
α-helix	181-190	10
α-helix	200-205	6
β-strand	216-220	5	2
β-strand	225-229	5	2
β-strand	235-242	8	2
α-helix	246-266	21
β-strand	271	1	3
β-strand	273-274	2	4
β-strand	278-279	2	4
α-helix	284-286	3
β-strand	288	1	4
β-strand	292-298	7	2
α-helix	300-303	4
α-helix	308-314	7
β-strand	317-323	7	2
β-strand	329-338	10	2
α-helix	346-368	23
α-helix	377-380	4

Chain B: 17 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	6-13	8
β-strand	28	1	5
α-helix	29-33	5
α-helix	36-42	7
α-helix	53-62	10
β-strand	71	1	5
α-helix	81-84	4
α-helix	86-96	11
α-helix	112-114	3
β-strand	126-135	10	6
β-strand	137	1	7
α-helix	148-163	16
α-helix	167-169	3
β-strand	171-175	5	6
α-helix	176-178	3
α-helix	181-190	10
α-helix	200-203	4
β-strand	216-220	5	6
β-strand	225-229	5	6
β-strand	235-242	8	6
α-helix	246-265	20
β-strand	271	1	7
β-strand	273-274	2	8
β-strand	278-279	2	8
β-strand	288	1	8
β-strand	292-298	7	6
α-helix	300-303	4
α-helix	308-315	8
β-strand	317-319	3	6
β-strand	333-338	6	6
α-helix	346-368	23
α-helix	378-380	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Creatine kinase B-type	A, B	protein	401	Homo sapiens	P12277 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>7TUN_1 Creatine kinase B-type (chains A, B)
MGSSHHHHHHSSGENLYFQGMPFSNSHNALKLRFPAEDEFPDLSAHNNHMAKVLTPELYA
ELRAKSTPSGFTLDDVIQTGVDNPGHPYIMTVGCVAGDEESYEVFKDLFDPIIEDRHGGY
KPSDEHKTDLNPDNLQGGDDLDPNYVLSSRVRTGRSIRGFCLPPHCSRGERRAIEKLAVE
ALSSLDGDLAGRYYALKSMTEAEQQQLIDDHFLFDKPVSPLLLASGMARDWPDARGIWHN
DNKTFLVWVNEEDHLRVISMQKGGNMKEVFTRFCTGLTQIETLFKSKDYEFMWNPHLGYI
LTCPSNLGTGLRAGVHIKLPNLGKHEKFSEVLKRLRLQKRGTGGVDTAAVGGVFDVSNAD
RLGFSEVELVQMVVDGVKLLIEMEQRLEQGQAIDDLMPAQK

Ligands and cofactors

ID	Name	Formula	Copies
KLU	(2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide	C11 H11 Cl N2 O3	2

Primary citation

Crystal Structure Analysis of human CKB complex with a covalent compound. Seo, H.-S., Dhe-Paganon, S. To be published.

Other PDB entries of the same protein (UniProt P12277 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7BF1 1.24 Å, Ca2+-Calmodulin in complex with peptide from brain-type creatine kinase in extended 1:2…
3B6R 2.0 Å, Crystal structure of Human Brain-type Creatine Kinase
3DRB 2.0 Å, Crystal structure of Human Brain-type Creatine Kinase
3DRE 2.2 Å, Crystal structure of Human Brain-type Creatine Kinase
6V9H 4.1 Å, Ankyrin repeat and SOCS-box protein 9 (ASB9), ElonginB (ELOB), and ElonginC (ELOC) bound…

Browse structure collections

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