Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5FPV

Crystal structure of human JMJD2A in complex with compound KDOAM20A

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN A 1357

Chain	Residue
A	HIS189
A	GLU191
A	HIS277
A	MMK1358
A	HOH2094

site_id	AC2
Number of Residues	16
Details	BINDING SITE FOR RESIDUE MMK A 1358

Chain	Residue
A	PHE186
A	HIS189
A	GLU191
A	LYS207
A	TRP209
A	LYS242
A	HIS277
A	SER289
A	THR290
A	ASN291
A	MN1357
A	HOH2094
A	TYR133
A	ASP136
A	TYR176
A	TYR178

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 1359

Chain	Residue
A	CYS235
A	HIS241
A	CYS307
A	CYS309

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NI A 1360

Chain	Residue
A	GLY230
H	LYS106

site_id	AC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE NI A 1361

Chain	Residue
A	LYS91

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN B 1357

Chain	Residue
B	HIS189
B	GLU191
B	HIS277
B	MMK1358
B	HOH2095

site_id	AC7
Number of Residues	16
Details	BINDING SITE FOR RESIDUE MMK B 1358

Chain	Residue
B	TYR133
B	TYR176
B	TYR178
B	PHE186
B	HIS189
B	GLU191
B	ASP192
B	LYS207
B	TRP209
B	LYS242
B	HIS277
B	SER289
B	THR290
B	ASN291
B	MN1357
B	HOH2095

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 1359

Chain	Residue
B	CYS235
B	HIS241
B	CYS307
B	CYS309

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NI B 1360

Chain	Residue
B	GLY230
B	SER231

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN C 1357

Chain	Residue
C	HIS189
C	GLU191
C	HIS277
C	MMK1358
C	HOH2103

site_id	BC2
Number of Residues	17
Details	BINDING SITE FOR RESIDUE MMK C 1358

Chain	Residue
C	TYR133
C	ASP136
C	TYR178
C	PHE186
C	HIS189
C	GLU191
C	ASP192
C	LYS207
C	TRP209
C	LYS242
C	HIS277
C	SER289
C	THR290
C	ASN291
C	MN1357
C	HOH2076
C	HOH2103

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 1359

Chain	Residue
C	CYS235
C	HIS241
C	CYS307
C	CYS309

site_id	BC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NI C 1360

Chain	Residue
C	ARG96
H	ASP147

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN D 1357

Chain	Residue
D	HIS189
D	GLU191
D	HIS277
D	MMK1358
D	HOH2089

site_id	BC6
Number of Residues	14
Details	BINDING SITE FOR RESIDUE MMK D 1358

Chain	Residue
D	MN1357
D	HOH2068
D	HOH2089
D	TYR133
D	TYR176
D	TYR178
D	PHE186
D	HIS189
D	GLU191
D	LYS207
D	TRP209
D	LYS242
D	HIS277
D	SER289

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 1359

Chain	Residue
D	CYS235
D	HIS241
D	CYS307
D	CYS309

site_id	BC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NI D 1360

Chain	Residue
D	GLY230
E	LYS106

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN E 1357

Chain	Residue
E	HIS189
E	GLU191
E	HIS277
E	MMK1358
E	HOH2057

site_id	CC1
Number of Residues	15
Details	BINDING SITE FOR RESIDUE MMK E 1358

Chain	Residue
E	TYR133
E	ASP136
E	TYR178
E	PHE186
E	HIS189
E	GLU191
E	LYS207
E	TRP209
E	LYS242
E	HIS277
E	THR290
E	ASN291
E	MN1357
E	HOH2047
E	HOH2057

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN E 1359

Chain	Residue
E	CYS235
E	HIS241
E	CYS307
E	CYS309

site_id	CC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN F 1357

Chain	Residue
F	HIS189
F	GLU191
F	HIS277
F	MMK1358
F	HOH2049

site_id	CC4
Number of Residues	16
Details	BINDING SITE FOR RESIDUE MMK F 1358

Chain	Residue
F	TYR133
F	ASP136
F	TYR176
F	TYR178
F	PHE186
F	HIS189
F	GLU191
F	LYS207
F	TRP209
F	LYS242
F	HIS277
F	SER289
F	THR290
F	ASN291
F	MN1357
F	HOH2049

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN F 1359

Chain	Residue
F	CYS235
F	HIS241
F	CYS307
F	CYS309

site_id	CC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN G 1357

Chain	Residue
G	HIS189
G	GLU191
G	HIS277
G	MMK1358
G	HOH2044

site_id	CC7
Number of Residues	16
Details	BINDING SITE FOR RESIDUE MMK G 1358

Chain	Residue
G	TYR133
G	ASP136
G	TYR176
G	TYR178
G	PHE186
G	HIS189
G	GLU191
G	LYS207
G	TRP209
G	LYS242
G	HIS277
G	SER289
G	THR290
G	ASN291
G	MN1357
G	HOH2044

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN G 1359

Chain	Residue
G	CYS235
G	HIS241
G	CYS307
G	CYS309

site_id	CC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NI G 1360

Chain	Residue
G	GLY230
G	SER231

site_id	DC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN H 1357

Chain	Residue
H	HIS189
H	GLU191
H	HIS277
H	MMK1358
H	HOH2075

site_id	DC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE MMK H 1358

Chain	Residue
H	TYR133
H	TYR176
H	TYR178
H	PHE186
H	HIS189
H	GLU191
H	LYS207
H	TRP209
H	LYS242
H	HIS277
H	SER289
H	MN1357
H	HOH2075

site_id	DC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN H 1359

Chain	Residue
H	CYS235
H	HIS241
H	CYS307
H	CYS309

site_id	DC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NI H 1360

Chain	Residue
A	LYS106
H	GLY230

site_id	DC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NI H 1361

Chain	Residue
H	LYS90
H	LYS91

site_id	DC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NI H 1363

Chain	Residue
H	HOH2119
H	HOH2120

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	24
Details	BINDING: BINDING => ECO:0000269\|PubMed:16677698

Chain	Residue	Details
A	TYR133
D	TYR133
D	ASN199
D	LYS207
E	TYR133
E	ASN199
E	LYS207
F	TYR133
F	ASN199
F	LYS207
G	TYR133
A	ASN199
G	ASN199
G	LYS207
H	TYR133
H	ASN199
H	LYS207
A	LYS207
B	TYR133
B	ASN199
B	LYS207
C	TYR133
C	ASN199
C	LYS207

site_id	SWS_FT_FI2
Number of Residues	16
Details	BINDING: BINDING => ECO:0000255\|PROSITE-ProRule:PRU00538, ECO:0000269\|PubMed:16677698, ECO:0000305\|PubMed:26741168

Chain	Residue	Details
A	HIS189
E	HIS277
F	HIS189
F	HIS277
G	HIS189
G	HIS277
H	HIS189
H	HIS277
A	HIS277
B	HIS189
B	HIS277
C	HIS189
C	HIS277
D	HIS189
D	HIS277
E	HIS189

site_id	SWS_FT_FI3
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269\|PubMed:16677698, ECO:0000305\|PubMed:26741168

Chain	Residue	Details
A	GLU191
B	GLU191
C	GLU191
D	GLU191
E	GLU191
F	GLU191
G	GLU191
H	GLU191

site_id	SWS_FT_FI4
Number of Residues	32
Details	BINDING: BINDING => ECO:0007744\|PDB:5F2W, ECO:0007744\|PDB:5F32, ECO:0007744\|PDB:5F37, ECO:0007744\|PDB:5F39, ECO:0007744\|PDB:5F3E, ECO:0007744\|PDB:5F3G, ECO:0007744\|PDB:5F5I

Chain	Residue	Details
A	CYS235
C	HIS241
C	CYS307
C	CYS309
D	CYS235
D	HIS241
D	CYS307
D	CYS309
E	CYS235
E	HIS241
E	CYS307
A	HIS241
E	CYS309
F	CYS235
F	HIS241
F	CYS307
F	CYS309
G	CYS235
G	HIS241
G	CYS307
G	CYS309
H	CYS235
A	CYS307
H	HIS241
H	CYS307
H	CYS309
A	CYS309
B	CYS235
B	HIS241
B	CYS307
B	CYS309
C	CYS235

site_id	SWS_FT_FI5
Number of Residues	8
Details	BINDING: BINDING => ECO:0000250\|UniProtKB:B2RXH2

Chain	Residue	Details
A	LYS242
B	LYS242
C	LYS242
D	LYS242
E	LYS242
F	LYS242
G	LYS242
H	LYS242

site_id	SWS_FT_FI6
Number of Residues	8
Details	MOD_RES: N-acetylalanine => ECO:0007744\|PubMed:19413330

Chain	Residue	Details
A	ALA3
B	ALA3
C	ALA3
D	ALA3
E	ALA3
F	ALA3
G	ALA3
H	ALA3

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	6
Details	M-CSA 370

Chain	Residue	Details
A	GLY171	hydrogen bond acceptor, steric role
A	TYR178	hydrogen bond donor, steric role
A	HIS189	metal ligand
A	GLU191	attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role
A	HIS277	metal ligand
A	SER289	hydrogen bond donor, steric role

site_id	MCSA2
Number of Residues	6
Details	M-CSA 370

Chain	Residue	Details
B	GLY171	hydrogen bond acceptor, steric role
B	TYR178	hydrogen bond donor, steric role
B	HIS189	metal ligand
B	GLU191	attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role
B	HIS277	metal ligand
B	SER289	hydrogen bond donor, steric role

site_id	MCSA3
Number of Residues	6
Details	M-CSA 370

Chain	Residue	Details
C	GLY171	hydrogen bond acceptor, steric role
C	TYR178	hydrogen bond donor, steric role
C	HIS189	metal ligand
C	GLU191	attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role
C	HIS277	metal ligand
C	SER289	hydrogen bond donor, steric role

site_id	MCSA4
Number of Residues	6
Details	M-CSA 370

Chain	Residue	Details
D	GLY171	hydrogen bond acceptor, steric role
D	TYR178	hydrogen bond donor, steric role
D	HIS189	metal ligand
D	GLU191	attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role
D	HIS277	metal ligand
D	SER289	hydrogen bond donor, steric role

site_id	MCSA5
Number of Residues	6
Details	M-CSA 370

Chain	Residue	Details
E	GLY171	hydrogen bond acceptor, steric role
E	TYR178	hydrogen bond donor, steric role
E	HIS189	metal ligand
E	GLU191	attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role
E	HIS277	metal ligand
E	SER289	hydrogen bond donor, steric role

site_id	MCSA6
Number of Residues	6
Details	M-CSA 370

Chain	Residue	Details
F	GLY171	hydrogen bond acceptor, steric role
F	TYR178	hydrogen bond donor, steric role
F	HIS189	metal ligand
F	GLU191	attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role
F	HIS277	metal ligand
F	SER289	hydrogen bond donor, steric role

site_id	MCSA7
Number of Residues	6
Details	M-CSA 370

Chain	Residue	Details
G	GLY171	hydrogen bond acceptor, steric role
G	TYR178	hydrogen bond donor, steric role
G	HIS189	metal ligand
G	GLU191	attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role
G	HIS277	metal ligand
G	SER289	hydrogen bond donor, steric role

site_id	MCSA8
Number of Residues	6
Details	M-CSA 370

Chain	Residue	Details
H	GLY171	hydrogen bond acceptor, steric role
H	TYR178	hydrogen bond donor, steric role
H	HIS189	metal ligand
H	GLU191	attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role
H	HIS277	metal ligand
H	SER289	hydrogen bond donor, steric role

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)