3PDQ: JMJD2A

Crystal structure of JMJD2A complexed with bipyridyl inhibitor. Determined by X-ray diffraction at 1.99 Å resolution. Released 30 Mar 2011.

Method: X-ray diffraction
Resolution: 1.99 Å
Organism: Homo sapiens
Chains: 2
Atoms: 6,360
Mol. weight: 89.7 kDa
Ligands: NI, ZN, KC6
Released: 30 Mar 2011

Explore 3PDQ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3PDQ contains 48 α-helices and 34 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: 23 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	5-7	3
α-helix	13-14	2
β-strand	15-17	3	1
α-helix	21-24	4
α-helix	27-36	10
α-helix	39-42	4
β-strand	44-47	4	1
β-strand	66-67	2	2
β-strand	71-78	8	3
β-strand	81-88	8	3
β-strand	92-93	2	2
α-helix	94-102	9
α-helix	108-110	3
α-helix	114-124	11
β-strand	131-132	2	3
β-strand	133-137	5	1
α-helix	158-164	7
β-strand	175-179	5	1
β-strand	184-188	5	4
α-helix	189-190	2
α-helix	191-193	3
β-strand	195-203	9	1
β-strand	206-211	6	4
α-helix	213-215	3
α-helix	216-226	11
α-helix	228-233	6
α-helix	237-240	4
β-strand	243-245	3	3
α-helix	247-252	6
β-strand	258-262	5	4
β-strand	267-270	4	1
β-strand	275-280	6	4
β-strand	284-291	8	1
α-helix	296-302	7
α-helix	303-306	4
α-helix	318-324	7
α-helix	326-333	8
α-helix	345-347	3
α-helix	348-350	3
α-helix	351-354	4

Chain B: 25 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	13-14	2
β-strand	15-17	3	5
α-helix	21-24	4
α-helix	27-36	10
α-helix	39-42	4
β-strand	44-47	4	5
α-helix	48-50	3
β-strand	66-67	2	6
β-strand	71-78	8	7
β-strand	81-88	8	7
β-strand	92-93	2	6
α-helix	94-102	9
α-helix	108-110	3
α-helix	114-124	11
β-strand	131-132	2	7
β-strand	133-137	5	5
α-helix	156-158	3
α-helix	159-164	6
β-strand	175-179	5	5
β-strand	184-188	5	8
α-helix	189-190	2
α-helix	191-193	3
β-strand	195-203	9	5
β-strand	206-211	6	8
α-helix	213-215	3
α-helix	216-226	11
α-helix	228-233	6
α-helix	237-240	4
β-strand	243-245	3	7
α-helix	247-252	6
β-strand	258-262	5	8
α-helix	263	1
β-strand	267-270	4	5
β-strand	275-280	6	8
β-strand	284-291	8	5
α-helix	296-302	7
α-helix	303-306	4
α-helix	318-324	7
α-helix	326-334	9
α-helix	339-341	3
α-helix	345-347	3
α-helix	348-353	6

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Lysine-specific demethylase 4A	A, B	protein	381	Homo sapiens	O75164 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>3PDQ_1 Lysine-specific demethylase 4A (chains A, B)
MHHHHHHSSGVDLGTENLYFQSMASESETLNPSARIMTFYPTMEEFRNFSRYIAYIESQG
AHRAGLAKVVPPKEWKPRASYDDIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFR
KIANSDKYCTPRYSEFEELERKYWKNLTFNPPIYGADVNGTLYEKHVDEWNIGRLRTILD
LVEKESGITIEGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKSWYSVPPEHGKR
LERLAKGFFPGSAQSCEAFLRHKMTLISPLMLKKYGIPFDKVTQEAGEFMITFPYGYHAG
FNHGFNCAESTNFATRRWIEYGKQAVLCSCRKDMVKISMDVFVRKFQPERYKLWKAGKDN
TVIDHTLPTPEAAEFLKESEL

Ligands and cofactors

ID	Name	Formula	Copies
NI	Nickel (II) ion	Ni	2
ZN	Zinc ion	Zn	2
KC6	4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid	C14 H14 N4 O3	2

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

Primary citation

Inhibition of histone demethylases by 4-carboxy-2,2'-bipyridyl compounds. Chang, K.-H., King, O.N.F., Tumber, A. et al. ChemMedChem (2011) 6:759-764. DOI 10.1002/cmdc.201100026 · PubMed

Other PDB entries of the same protein (UniProt O75164 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9GP4 1.59 Å, Jumonji domain-containing protein 2A with crystallization epitope mutations Q953E:A958D
9GII 1.7 Å, Jumonji domain-containing protein 2A with crystallization epitope mutation R913A
6G5X 1.78 Å, Crystal Structure of KDM4A with compound YP-02-145
2QQR 1.8 Å, JMJD2A hybrid tudor domains
4V2W 1.81 Å, JMJD2A complexed with ni(ii), nog and histone H3K27me3 peptide (16-35)
5VAR 1.83 Å, Crystal structure of KDM4A tandem TUDOR domain in complex with a tri-methyl lysine…
6G5W 1.83 Å, Crystal Structure of KDM4A with compound YP-03-038
9GLE 1.88 Å, Jumonji domain-containing protein 2A with crystallization epitope mutations A91T:T93S
2OX0 1.95 Å, Crystal structure of JMJD2A complexed with histone H3 peptide dimethylated at Lys9
6H8P 1.98 Å, JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Histone H1.4(18-32)K26me3 peptide (15-mer)
2P5B 1.99 Å, The complex structure of JMJD2A and trimethylated H3K36 peptide
5D6W 1.99 Å, Crystal structure of double tudor domain of human lysine demethylase KDM4A

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