6IIN: USP14 catalytic domain with IU1-248

USP14 catalytic domain with IU1-248. Determined by X-ray diffraction at 2.53 Å resolution. Released 19 Dec 2018.

Method: X-ray diffraction
Resolution: 2.53 Å
Organism: Homo sapiens
Chains: 2
Atoms: 5,542
Mol. weight: 88.73 kDa
Ligands: A8O
Released: 19 Dec 2018

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

Secondary structure: helices and β-sheets

6IIN contains 30 α-helices and 50 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: 15 helices, 25 β-strands

Element	Residues	Length	Sheet
β-strand	106-107	2	1
α-helix	114-124	11
α-helix	127-134	8
α-helix	147-165	19
β-strand	169-170	2	1
α-helix	173-182	10
β-strand	189	1	2
α-helix	194	1
β-strand	195	1	2
α-helix	196-197	2
α-helix	200-214	15
α-helix	216-218	3
α-helix	242-247	6
β-strand	249-257	9	3
α-helix	264-265	2
β-strand	266-272	7	3
β-strand	275-278	4	4
β-strand	285	1	5
α-helix	286-293	8
β-strand	295-302	8	3
β-strand	307-319	13	3
β-strand	321	1	6
β-strand	324-329	6	4
β-strand	331	1	7
β-strand	342	1	7
β-strand	348	1	5
β-strand	352-354	3	4
α-helix	356-358	3
β-strand	359	1	3
α-helix	361-371	11
β-strand	406	1	8
β-strand	409	1	8
β-strand	412	1	6
β-strand	417-427	11	4
β-strand	435-443	9	4
β-strand	446-451	6	4
β-strand	454-458	5	4
α-helix	460-464	5
α-helix	465-467	3
β-strand	474-482	9	4

Chain B: 15 helices, 25 β-strands

Element	Residues	Length	Sheet
β-strand	106-107	2	9
α-helix	114-124	11
α-helix	127-135	9
α-helix	147-165	19
β-strand	169-170	2	9
α-helix	173-182	10
α-helix	184-187	4
β-strand	189	1	10
α-helix	194	1
β-strand	195	1	10
α-helix	196-197	2
α-helix	200-214	15
β-strand	216	1	11
α-helix	217-218	2
β-strand	241	1	11
α-helix	242-247	6
β-strand	249-257	9	12
α-helix	264-265	2
β-strand	266-272	7	12
β-strand	275-277	3	13
β-strand	285	1	14
α-helix	286-293	8
β-strand	295-298	4	12
β-strand	302	1	15
β-strand	307	1	15
β-strand	311-319	9	12
β-strand	321	1	16
β-strand	324-328	5	13
β-strand	348	1	14
β-strand	352-354	3	13
α-helix	356-358	3
β-strand	359	1	12
α-helix	361-374	14
β-strand	412	1	16
β-strand	417-427	11	13
β-strand	435-443	9	13
β-strand	446-451	6	13
β-strand	454-458	5	13
α-helix	460-464	5
β-strand	474-482	9	13

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Ubiquitin carboxyl-terminal hydrolase 14	A, B	protein	385	Homo sapiens	P54578 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>6IIN_1 Ubiquitin carboxyl-terminal hydrolase 14 (chains A, B)
MELPCGLTNLGNTCYMNATVQCIRSVPELKDALKRYAGALRASGEMASAQYITAALRDLF
DSMDKTSSSIPPIILLQFLHMAFPQFAEKGEQGQYLQQDANECWIQMMRVLQQKLEAIED
DSVKETDSSSASAATPSKKKSLIDQFFGVEFETTMKCTESEEEEVTKGKENQLQLSCFIN
QEVKYLFTGLKLRLQEEITKQSPTLQRNALYIKSSKISRLPAYLTIQMVRFFYKEKESVN
AKVLKDVKFPLMLDMYELCTPELQEKMVSFRSKFKDLEDKKVNQQPNTSDKKSSPQKEVK
YEPFSFADDIGSNNCGYYDLQAVLTHQGRSSSSGHYVSWVKRKQDEWIKFDDDKVSIVTP
EDILRLSGGGDWHIAYVLLYGPRRV

Ligands and cofactors

ID	Name	Formula	Copies
A8O	4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile	C20 H23 N3 O2	2

Primary citation

Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade. Wang, Y., Jiang, Y., Ding, S. et al. Cell Res (2018) 28:1186-1194. DOI 10.1038/s41422-018-0091-x · PubMed

Other PDB entries of the same protein (UniProt P54578 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9F6G 1.5 Å, Human USP30 chimera bound to Ubiquitin-PA
6IIK 1.97 Å, USP14 catalytic domain with IU1
6IIL 2.2 Å, USP14 catalytic domain bind to IU1-47
6IIM 2.21 Å, USP14 catalytic domain with IU1-206
6LVS 2.73 Å, USP14 catalytic domain mutant C114S
9F19 2.75 Å, Human USP30 chimera in complex with NK036 inhibitor
7W37 3.0 Å, Structure of USP14-bound human 26S proteasome in state EA1_UBL
7W38 3.1 Å, Structure of USP14-bound human 26S proteasome in state EA2.0_UBL
2AYN 3.2 Å, Structure of USP14, a proteasome-associated deubiquitinating enzyme
7W39 3.2 Å, Structure of USP14-bound human 26S proteasome in state EA2.1_UBL
7W3G 3.2 Å, Structure of USP14-bound human 26S proteasome in substrate-engaged state ED2.0_USP14
7W3H 3.2 Å, Structure of USP14-bound human 26S proteasome in substrate-engaged state ED2.1_USP14

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