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Receptor
PDB id Resolution Class Description Source Keywords
6FHQ 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN BAZ2B PHD ZINC FINGER IN COMPLEX HOMO SAPIENS TRANSCRIPTION PHD ZINC FINGER BAZ2B BAZ2A BROMODOMAIN COMPETITION EPIGENETIC
Ref.: TARGETING LIGANDABLE POCKETS ON PLANT HOMEODOMAIN ( FINGER DOMAINS BY A FRAGMENT-BASED APPROACH. ACS CHEM. BIOL. V. 13 915 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DE5 A:2003;
Valid;
none;
Kd = 3.4 mM
157.194 C5 H7 N3 O S c1csc...
ZN B:2002;
B:2001;
A:2002;
A:2001;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6FHQ 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN BAZ2B PHD ZINC FINGER IN COMPLEX HOMO SAPIENS TRANSCRIPTION PHD ZINC FINGER BAZ2B BAZ2A BROMODOMAIN COMPETITION EPIGENETIC
Ref.: TARGETING LIGANDABLE POCKETS ON PLANT HOMEODOMAIN ( FINGER DOMAINS BY A FRAGMENT-BASED APPROACH. ACS CHEM. BIOL. V. 13 915 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 6FHQ Kd = 3.4 mM DE5 C5 H7 N3 O S c1csc(n1)N....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 6FHQ Kd = 3.4 mM DE5 C5 H7 N3 O S c1csc(n1)N....
2 5T8R Kd = 51 uM ALA ARG THR LYS GLN THR ALA ARG LYS SER n/a n/a
3 6FHU Kd = 2.3 mM ALA ARG 9AT n/a n/a
4 6FI0 - DEW C9 H12 N2 O S c1csc2c1CN....
5 6FKP - ALA ARG THR ALA ALA THR ALA ARG LYS SER n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 6FHQ Kd = 3.4 mM DE5 C5 H7 N3 O S c1csc(n1)N....
2 2PUY Kd ~ 30 uM ALA ARG THR LYS GLN THR ALA ARG LYS SER n/a n/a
3 5T8R Kd = 51 uM ALA ARG THR LYS GLN THR ALA ARG LYS SER n/a n/a
4 6FHU Kd = 2.3 mM ALA ARG 9AT n/a n/a
5 6FI0 - DEW C9 H12 N2 O S c1csc2c1CN....
6 6FKP - ALA ARG THR ALA ALA THR ALA ARG LYS SER n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DE5; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 DE5 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6FHQ; Ligand: DE5; Similar sites found with APoc: 132
This union binding pocket(no: 1) in the query (biounit: 6fhq.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1QF9 C5P None
2 1QF9 ALF None
3 1QF9 ADP None
4 3G5N PB2 None
5 4DYG MES None
6 5AAV GW5 None
7 2ART LPA AMP None
8 1NM5 NAD None
9 1NM5 NAP None
10 2OOR TXP None
11 3RWO GDP None
12 3ND6 ATP None
13 3UC5 ATP None
14 2PZM UDP None
15 2PZM NAD None
16 4Z24 FAD None
17 1UKZ ADP None
18 3KDN CAP None
19 2AHR NAP None
20 1UKZ AMP None
21 3OVR 5SP None
22 5DH3 5BS None
23 3SXS PP2 None
24 3EKK GS2 None
25 2BNF UTP None
26 2JFN GLU None
27 5TB5 GDP None
28 5UQW GDP None
29 3KTA AP5 None
30 1H9G COA MYR None
31 1DJL NAP None
32 3PQC GDP None
33 1NE6 SP1 None
34 1ZUW DGL None
35 2BNE U5P None
36 2GZM DGL None
37 3ZOK GLY None
38 4JF5 FLC None
39 1PNO NAP None
40 4AU7 SAH None
41 2AK3 AMP None
42 4Z4P SAH 3.44828
43 2XTZ GSP 3.44828
44 1V7Z CRN 3.44828
45 3DEF GDP 3.44828
46 6GFK SAH 3.44828
47 1PN4 HDC 3.44828
48 1YOK P6L 5.17241
49 3AB3 GDP 5.17241
50 2F57 23D 5.17241
51 4LIK CIT 6.89655
52 3AQV TAK 6.89655
53 1COY AND 6.89655
54 2Q1W NAD 6.89655
55 2VVT I24 6.89655
56 2VVT DGL 6.89655
57 4QYS PLP SEP 6.89655
58 1JAY F42 6.89655
59 3PE2 E1B 8.62069
60 1F5N GNP 8.62069
61 5O3N 4LU 8.62069
62 3BC1 GNP 8.62069
63 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 8.62069
64 2RC5 FAD 8.62069
65 1F0X FAD 8.62069
66 3SSO SAH 8.62069
67 1GY8 NAD 8.62069
68 1OC2 NAD 10.3448
69 1OC2 TDX 10.3448
70 2JFZ DGL 10.3448
71 2JFZ 003 10.3448
72 1CS4 GSP 10.3448
73 1FND FAD 10.3448
74 1FND A2P 10.3448
75 1U2Z SAH 10.3448
76 1KEW TYD 10.3448
77 2QQ0 ADP 10.3448
78 2QQ0 TMP 10.3448
79 2DWU DGL 10.3448
80 1Z08 GNP 10.3448
81 5ZEC NAP 10.3448
82 1BH2 GSP 10.3448
83 3HNT AXR BXY BXY BXX 10.3448
84 5JFS 6K0 10.3448
85 1HXD BTN 10.3448
86 3ABA FLI 10.3448
87 4XYM COA 12.069
88 5WO4 B7V 12.069
89 4INQ PIF 12.069
90 4LY9 1YY 12.069
91 4LY9 S6P 12.069
92 2BHZ MAL 12.069
93 1H0H 2MD 12.069
94 1TL2 NDG 12.069
95 6CZ3 FLJ 13.7931
96 2JFQ DGL 13.7931
97 2XTS MTE 13.7931
98 4E1Z 0MX 15.5172
99 4EUU BX7 15.5172
100 1N2X SAM 15.5172
101 1QFY FAD 15.5172
102 1QFY NAP 15.5172
103 3MHP FAD 15.5172
104 1GAW FAD 15.5172
105 3VO1 FAD 15.5172
106 4A1O JLN 15.5172
107 5YJF SAH 15.5172
108 1TLL FAD 15.5172
109 2H21 SAM 17.2414
110 4KS7 X4Z 17.2414
111 3QXY SAM 17.2414
112 3FC2 IBI 17.2414
113 4C1Q SAH 17.2414
114 1WF3 GNP 18.9655
115 5TO8 7FM 18.9655
116 4U8P UDP 18.9655
117 4ASE AV9 20.6897
118 3EYA TDP 20.6897
119 6AU6 GDP 22.4138
120 3TG5 SAH 22.4138
121 5HQ8 SAH 24.1379
122 5CCM SAM 24.1379
123 5CCM 4ZX 24.1379
124 5KJK SAM 24.1379
125 5KJK 6T1 24.1379
126 3S7D SAH 24.1379
127 3TKI S25 25.8621
128 5H5J FAD 25.8621
129 1VG0 GDP 25.8621
130 3TMK T5A 27.5862
131 5OKT 9XK 27.5862
132 5WXH ALA ARG THR M3L GLN THR ALA 34.4828
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