Receptor
PDB id Resolution Class Description Source Keywords
6QQU 1.59 Å EC: 2.1.1.228 CRYSTAL STRUCTURE OF TRMD, A TRNA-(N1G37) METHYLTRANSFERASE, MYCOBACTERIUM ABSCESSUS IN COMPLEX WITH INHIBITOR MYCOBACTERIUM ABSCESSUS TRMD TRNA METHYLTRANSFERASE SPOUT METHYLTRANSFERASE TRANS
Ref.: DEVELOPMENT OF INHIBITORS AGAINSTMYCOBACTERIUM ABSC (M1G37) METHYLTRANSFERASE (TRMD) USING FRAGMENT-BAS APPROACHES. J.MED.CHEM. V. 62 7210 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
JF8 A:301;
B:301;
 Valid;
Valid;
 none;
none;
 Kd = 5 uM
223.233 C12 H9 N5 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6QRB 1.66 Å EC: 2.1.1.228 CRYSTAL STRUCTURE OF TRMD, A TRNA-(N1G37) METHYLTRANSFERASE, MYCOBACTERIUM ABSCESSUS IN COMPLEX WITH INHIBITOR MYCOBACTERIUM ABSCESSUS TRMD TRNA METHYLTRANSFERASE SPOUT METHYLTRANSFERASE TRANS
Ref.: DEVELOPMENT OF INHIBITORS AGAINST MYCOBACTERIUM ABS TRNA (M 1 G37) METHYLTRANSFERASE (TRMD) USING FRAGM APPROACHES. J.MED.CHEM. V. 62 7210 2019
Members (54)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6QQR - JDN C8 H8 B N O2 B(c1ccc2c(....
2 6QOA - JBN C4 H4 N2 O2 c1cnoc1C(=....
3 6QOF - ADE C5 H5 N5 c1[nH]c2c(....
4 6QQY Kd = 0.5 uM JD2 C18 H14 N6 c1ccnc(c1)....
5 6QRF Kd = 33 uM JF5 C11 H10 N2 O2 c1ccc(cc1)....
6 6QOJ - JBH C8 H8 N2 O c1ccc2c(c1....
7 6QR5 Kd = 0.49 uM JFH C23 H25 N5 c1cc(ccc1C....
8 6QOR - JBK C6 H6 N2 O3 c1cc(c(c(c....
9 6QON - J9W C8 H5 N O3 c1ccc2c(c1....
10 6QOO - JAB C4 H4 N2 O S c1cnoc1C(=....
11 6QOK - J9T C7 H8 N2 O2 COC(=O)c1c....
12 6QR6 Kd = 0.027 uM JCK C24 H24 N6 c1cc(ccc1C....
13 6QQS Kd = 110 uM JCZ C11 H10 N4 c1cc(cc2c1....
14 6QQZ Kd = 0.18 uM JEB C18 H14 N6 c1cc(cnc1)....
15 6QO4 - 97T C9 H7 N O2 c1ccc(c(c1....
16 6QQW Kd = 19 uM JDQ C18 H16 N4 c1ccc(cc1)....
17 6QQT Kd = 59 uM JCH C19 H18 N4 O COc1ccc(cc....
18 6QQQ Kd = 6.7 uM JDE C17 H15 N3 O3 COc1cc(cc(....
19 6QOC - J9Q C9 H8 N2 O c1ccc(c(c1....
20 6NW6 - SAM C15 H22 N6 O5 S C[S@@+](CC....
21 6QO3 - J9N C7 H7 N3 S c1cc(sc1)C....
22 6QR7 Kd = 70 nM JEK C25 H26 N6 c1cc(ccc1C....
23 6QOT Kd = 0.17 mM 6SD C10 H11 N3 O COc1ccc(cc....
24 6QR0 Kd = 0.12 uM JFB C18 H14 N6 c1cc(cc2c1....
25 6QR9 Kd = 190 nM JEE C24 H24 N6 O c1cc(ccc1C....
26 6QOQ - JAE C7 H6 N2 S c1cc2c(cc1....
27 6QOD - FBB C7 H5 F N2 S c1cc2c(cc1....
28 6QOV - JAH C12 H12 N2 c1ccc(cc1)....
29 6QR1 Kd = 8.5 uM JFT C18 H13 Cl N6 c1cc(cnc1)....
30 6QOI - ABV C7 H6 N2 S c1ccc2c(c1....
31 6QRC Kd = 13 uM JFE C19 H18 N4 O COc1cccc(c....
32 6QOW - JBZ C9 H7 N O3 S COc1ccc2c(....
33 6QRE Kd = 14 uM JCQ C12 H12 N2 O3 COc1cccc(c....
34 6QOX - JA5 C9 H9 N O3 S COC(=O)c1c....
35 6QOG - JA8 C7 H5 Br N2 S c1cc2c(cc1....
36 6QR2 Kd = 3.2 uM JQB C18 H14 N6 O c1cc(c(nc1....
37 6QQV Kd = 12 uM JEW C19 H15 N5 c1ccc(c(c1....
38 6NW7 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
39 6QRA Kd = 710 nM JDK C24 H27 N5 c1cc(ccc1C....
40 6QOS - GOJ C6 H8 N2 O2 CCOC(=O)c1....
41 6QRB Kd = 27 nM JEQ C25 H26 N6 c1ccc(cc1)....
42 6QR8 Kd = 0.073 uM JDH C25 H27 N7 CN1CCN(CC1....
43 6QO6 - 5OB C8 H8 N2 O COc1ccc2c(....
44 6QRD Kd = 100 nM JEH C27 H31 N7 CC(C)N1CCN....
45 6QOH - 6GU C5 H4 Cl N5 c1[nH]c2c(....
46 6QOP - JBQ C8 H7 F N2 O c1cc2c(c(c....
47 6QR3 Kd = 0.36 uM JE8 C19 H22 N6 CN1CCC[C@@....
48 6QOL - JB5 C8 H7 N3 c1cc2c(cc1....
49 6QQU Kd = 5 uM JF8 C12 H9 N5 c1cc(cc2c1....
50 6QOM - JBE C5 H5 N3 O2 c1cc(c(nc1....
51 6QRG Kd = 10 uM JET C14 H14 N2 O5 COC(=O)COc....
52 6QR4 Kd = 0.59 uM JD8 C19 H22 N6 CN1CCCC[C@....
53 6QO2 - JAW C9 H8 N2 O c1cc2c(cc[....
54 6QOU Kd = 0.26 mM JB8 C8 H8 B N O2 B(c1ccc2cc....
70% Homology Family (58)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6QQR - JDN C8 H8 B N O2 B(c1ccc2c(....
2 6QOA - JBN C4 H4 N2 O2 c1cnoc1C(=....
3 6QOF - ADE C5 H5 N5 c1[nH]c2c(....
4 6QQY Kd = 0.5 uM JD2 C18 H14 N6 c1ccnc(c1)....
5 6QRF Kd = 33 uM JF5 C11 H10 N2 O2 c1ccc(cc1)....
6 6QOJ - JBH C8 H8 N2 O c1ccc2c(c1....
7 6QR5 Kd = 0.49 uM JFH C23 H25 N5 c1cc(ccc1C....
8 6QOR - JBK C6 H6 N2 O3 c1cc(c(c(c....
9 6QON - J9W C8 H5 N O3 c1ccc2c(c1....
10 6QOO - JAB C4 H4 N2 O S c1cnoc1C(=....
11 6QOK - J9T C7 H8 N2 O2 COC(=O)c1c....
12 6QR6 Kd = 0.027 uM JCK C24 H24 N6 c1cc(ccc1C....
13 6QQS Kd = 110 uM JCZ C11 H10 N4 c1cc(cc2c1....
14 6QQZ Kd = 0.18 uM JEB C18 H14 N6 c1cc(cnc1)....
15 6QO4 - 97T C9 H7 N O2 c1ccc(c(c1....
16 6QQW Kd = 19 uM JDQ C18 H16 N4 c1ccc(cc1)....
17 6QQT Kd = 59 uM JCH C19 H18 N4 O COc1ccc(cc....
18 6QQQ Kd = 6.7 uM JDE C17 H15 N3 O3 COc1cc(cc(....
19 6QOC - J9Q C9 H8 N2 O c1ccc(c(c1....
20 6NW6 - SAM C15 H22 N6 O5 S C[S@@+](CC....
21 6QO3 - J9N C7 H7 N3 S c1cc(sc1)C....
22 6QR7 Kd = 70 nM JEK C25 H26 N6 c1cc(ccc1C....
23 6QOT Kd = 0.17 mM 6SD C10 H11 N3 O COc1ccc(cc....
24 6QR0 Kd = 0.12 uM JFB C18 H14 N6 c1cc(cc2c1....
25 6QR9 Kd = 190 nM JEE C24 H24 N6 O c1cc(ccc1C....
26 6QOQ - JAE C7 H6 N2 S c1cc2c(cc1....
27 6QOD - FBB C7 H5 F N2 S c1cc2c(cc1....
28 6QOV - JAH C12 H12 N2 c1ccc(cc1)....
29 6QR1 Kd = 8.5 uM JFT C18 H13 Cl N6 c1cc(cnc1)....
30 6QOI - ABV C7 H6 N2 S c1ccc2c(c1....
31 6QRC Kd = 13 uM JFE C19 H18 N4 O COc1cccc(c....
32 6QOW - JBZ C9 H7 N O3 S COc1ccc2c(....
33 6QRE Kd = 14 uM JCQ C12 H12 N2 O3 COc1cccc(c....
34 6QOX - JA5 C9 H9 N O3 S COC(=O)c1c....
35 6QOG - JA8 C7 H5 Br N2 S c1cc2c(cc1....
36 6QR2 Kd = 3.2 uM JQB C18 H14 N6 O c1cc(c(nc1....
37 6QQV Kd = 12 uM JEW C19 H15 N5 c1ccc(c(c1....
38 6NW7 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
39 6QRA Kd = 710 nM JDK C24 H27 N5 c1cc(ccc1C....
40 6QOS - GOJ C6 H8 N2 O2 CCOC(=O)c1....
41 6QRB Kd = 27 nM JEQ C25 H26 N6 c1ccc(cc1)....
42 6QR8 Kd = 0.073 uM JDH C25 H27 N7 CN1CCN(CC1....
43 6QO6 - 5OB C8 H8 N2 O COc1ccc2c(....
44 6QRD Kd = 100 nM JEH C27 H31 N7 CC(C)N1CCN....
45 6QOH - 6GU C5 H4 Cl N5 c1[nH]c2c(....
46 6QOP - JBQ C8 H7 F N2 O c1cc2c(c(c....
47 6QR3 Kd = 0.36 uM JE8 C19 H22 N6 CN1CCC[C@@....
48 6QOL - JB5 C8 H7 N3 c1cc2c(cc1....
49 6QQU Kd = 5 uM JF8 C12 H9 N5 c1cc(cc2c1....
50 6QOM - JBE C5 H5 N3 O2 c1cc(c(nc1....
51 6QRG Kd = 10 uM JET C14 H14 N2 O5 COC(=O)COc....
52 6QR4 Kd = 0.59 uM JD8 C19 H22 N6 CN1CCCC[C@....
53 6QO2 - JAW C9 H8 N2 O c1cc2c(cc[....
54 6QOU Kd = 0.26 mM JB8 C8 H8 B N O2 B(c1ccc2cc....
55 5ZHJ Kd = 10.1 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
56 5ZHL Kd = 0.19 uM 9D0 C23 H30 N4 O2 S CCCCCCCCNC....
57 5ZHK - 9D6 C23 H28 N4 O2 S CCN(Cc1ccc....
58 6JOF Kd = 10.4 uM BWR C20 H23 N5 O2 S c1cc(ccc1C....
50% Homology Family (69)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6QQR - JDN C8 H8 B N O2 B(c1ccc2c(....
2 6QOA - JBN C4 H4 N2 O2 c1cnoc1C(=....
3 6QOF - ADE C5 H5 N5 c1[nH]c2c(....
4 6QQY Kd = 0.5 uM JD2 C18 H14 N6 c1ccnc(c1)....
5 6QRF Kd = 33 uM JF5 C11 H10 N2 O2 c1ccc(cc1)....
6 6QOJ - JBH C8 H8 N2 O c1ccc2c(c1....
7 6QR5 Kd = 0.49 uM JFH C23 H25 N5 c1cc(ccc1C....
8 6QOR - JBK C6 H6 N2 O3 c1cc(c(c(c....
9 6QON - J9W C8 H5 N O3 c1ccc2c(c1....
10 6QOO - JAB C4 H4 N2 O S c1cnoc1C(=....
11 6QOK - J9T C7 H8 N2 O2 COC(=O)c1c....
12 6QR6 Kd = 0.027 uM JCK C24 H24 N6 c1cc(ccc1C....
13 6QQS Kd = 110 uM JCZ C11 H10 N4 c1cc(cc2c1....
14 6QQZ Kd = 0.18 uM JEB C18 H14 N6 c1cc(cnc1)....
15 6QO4 - 97T C9 H7 N O2 c1ccc(c(c1....
16 6QQW Kd = 19 uM JDQ C18 H16 N4 c1ccc(cc1)....
17 6QQT Kd = 59 uM JCH C19 H18 N4 O COc1ccc(cc....
18 6QQQ Kd = 6.7 uM JDE C17 H15 N3 O3 COc1cc(cc(....
19 6QOC - J9Q C9 H8 N2 O c1ccc(c(c1....
20 6NW6 - SAM C15 H22 N6 O5 S C[S@@+](CC....
21 6QO3 - J9N C7 H7 N3 S c1cc(sc1)C....
22 6QR7 Kd = 70 nM JEK C25 H26 N6 c1cc(ccc1C....
23 6QOT Kd = 0.17 mM 6SD C10 H11 N3 O COc1ccc(cc....
24 6QR0 Kd = 0.12 uM JFB C18 H14 N6 c1cc(cc2c1....
25 6QR9 Kd = 190 nM JEE C24 H24 N6 O c1cc(ccc1C....
26 6QOQ - JAE C7 H6 N2 S c1cc2c(cc1....
27 6QOD - FBB C7 H5 F N2 S c1cc2c(cc1....
28 6QOV - JAH C12 H12 N2 c1ccc(cc1)....
29 6QR1 Kd = 8.5 uM JFT C18 H13 Cl N6 c1cc(cnc1)....
30 6QOI - ABV C7 H6 N2 S c1ccc2c(c1....
31 6QRC Kd = 13 uM JFE C19 H18 N4 O COc1cccc(c....
32 6QOW - JBZ C9 H7 N O3 S COc1ccc2c(....
33 6QRE Kd = 14 uM JCQ C12 H12 N2 O3 COc1cccc(c....
34 6QOX - JA5 C9 H9 N O3 S COC(=O)c1c....
35 6QOG - JA8 C7 H5 Br N2 S c1cc2c(cc1....
36 6QR2 Kd = 3.2 uM JQB C18 H14 N6 O c1cc(c(nc1....
37 6QQV Kd = 12 uM JEW C19 H15 N5 c1ccc(c(c1....
38 6NW7 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
39 6QRA Kd = 710 nM JDK C24 H27 N5 c1cc(ccc1C....
40 6QOS - GOJ C6 H8 N2 O2 CCOC(=O)c1....
41 6QRB Kd = 27 nM JEQ C25 H26 N6 c1ccc(cc1)....
42 6QR8 Kd = 0.073 uM JDH C25 H27 N7 CN1CCN(CC1....
43 6QO6 - 5OB C8 H8 N2 O COc1ccc2c(....
44 6QRD Kd = 100 nM JEH C27 H31 N7 CC(C)N1CCN....
45 6QOH - 6GU C5 H4 Cl N5 c1[nH]c2c(....
46 6QOP - JBQ C8 H7 F N2 O c1cc2c(c(c....
47 6QR3 Kd = 0.36 uM JE8 C19 H22 N6 CN1CCC[C@@....
48 6QOL - JB5 C8 H7 N3 c1cc2c(cc1....
49 6QQU Kd = 5 uM JF8 C12 H9 N5 c1cc(cc2c1....
50 6QOM - JBE C5 H5 N3 O2 c1cc(c(nc1....
51 6QRG Kd = 10 uM JET C14 H14 N2 O5 COC(=O)COc....
52 6QR4 Kd = 0.59 uM JD8 C19 H22 N6 CN1CCCC[C@....
53 6QO2 - JAW C9 H8 N2 O c1cc2c(cc[....
54 6QOU Kd = 0.26 mM JB8 C8 H8 B N O2 B(c1ccc2cc....
55 6JOE Kd = 0.091 uM BWR C20 H23 N5 O2 S c1cc(ccc1C....
56 4MCD ic50 = 4.7 uM 22L C12 H8 N2 O S c1ccc(cc1)....
57 3AXZ Kd = 372 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
58 4MCC ic50 = 0.56 uM 21X C15 H14 N4 O2 S c1cc(ccc1C....
59 1UAK - SAM C15 H22 N6 O5 S C[S@@+](CC....
60 4YVH - SFG C15 H23 N7 O5 c1nc(c2c(n....
61 1UAL - SAH C14 H20 N6 O5 S c1nc(c2c(n....
62 1UAM - SAH C14 H20 N6 O5 S c1nc(c2c(n....
63 4YVG - SAM C15 H22 N6 O5 S C[S@@+](CC....
64 4MCB ic50 = 1.5 uM 21W C19 H18 N6 O2 S c1cc(ccc1C....
65 5ZHJ Kd = 10.1 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
66 5ZHL Kd = 0.19 uM 9D0 C23 H30 N4 O2 S CCCCCCCCNC....
67 5ZHK - 9D6 C23 H28 N4 O2 S CCN(Cc1ccc....
68 6JOF Kd = 10.4 uM BWR C20 H23 N5 O2 S c1cc(ccc1C....
69 1P9P Kd = 68 nM SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: JF8; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 JF8 1 1
2 JCZ 0.453125 0.864865
3 JQB 0.409091 0.627119
4 JFB 0.404762 0.770833
5 JEB 0.402299 0.770833
Similar Ligands (3D)
Ligand no: 1; Ligand: JF8; Similar ligands found: 562
No: Ligand Similarity coefficient
1 B21 0.9451
2 9CE 0.9354
3 JGB 0.9354
4 ERZ 0.9350
5 YE6 0.9315
6 ZRK 0.9313
7 MR4 0.9307
8 U13 0.9297
9 LUM 0.9278
10 RGK 0.9276
11 5VU 0.9271
12 ZSP 0.9267
13 F40 0.9257
14 ACE TRP 0.9254
15 5C1 0.9250
16 ZRL 0.9240
17 JRO 0.9240
18 N0Z 0.9232
19 FCD 0.9230
20 EAJ 0.9226
21 IDZ 0.9226
22 9JT 0.9224
23 0SY 0.9221
24 S60 0.9218
25 1XS 0.9210
26 SQM 0.9205
27 DFL 0.9202
28 NKI 0.9201
29 BGU 0.9200
30 BIO 0.9199
31 ITE 0.9196
32 H4B 0.9195
33 0UL 0.9185
34 5TY 0.9173
35 1V1 0.9169
36 20D 0.9164
37 ANC 0.9164
38 FHV 0.9164
39 5WT 0.9157
40 272 0.9154
41 4FF 0.9152
42 F18 0.9149
43 A73 0.9149
44 CBE 0.9148
45 26C 0.9147
46 CNI 0.9146
47 TCR 0.9145
48 DX2 0.9143
49 3VQ 0.9142
50 D9Z 0.9142
51 9UL 0.9141
52 WLH 0.9140
53 MR5 0.9139
54 6QF 0.9138
55 Q0K 0.9137
56 2WU 0.9136
57 LR2 0.9135
58 DXK 0.9135
59 DNQ 0.9133
60 EAT 0.9128
61 TRP 0.9127
62 PIQ 0.9126
63 H75 0.9125
64 1A5 0.9124
65 1DR 0.9122
66 6TJ 0.9121
67 CX6 0.9118
68 2P3 0.9111
69 18E 0.9111
70 A5Q 0.9108
71 5S9 0.9102
72 7ZO 0.9098
73 MR6 0.9097
74 ELH 0.9096
75 8HH 0.9095
76 PRL 0.9094
77 V1T 0.9091
78 4AU 0.9090
79 LZ5 0.9087
80 2PV 0.9085
81 X48 0.9084
82 C4E 0.9082
83 1SF 0.9082
84 CC5 0.9079
85 1V3 0.9077
86 78Y 0.9076
87 28A 0.9075
88 A5H 0.9073
89 1FL 0.9073
90 344 0.9072
91 NRA 0.9070
92 363 0.9069
93 6J3 0.9063
94 E3X 0.9063
95 UAY 0.9060
96 5AD 0.9059
97 38E 0.9058
98 FF2 0.9056
99 5E5 0.9055
100 2PK 0.9055
101 5B2 0.9053
102 EQU 0.9051
103 G14 0.9051
104 II4 0.9047
105 S98 0.9046
106 2JX 0.9045
107 X2M 0.9044
108 833 0.9043
109 2QU 0.9042
110 W29 0.9040
111 3D8 0.9040
112 6FB 0.9040
113 AUV 0.9040
114 4GU 0.9039
115 4FC 0.9037
116 AVX 0.9037
117 4HB 0.9036
118 JY4 0.9033
119 XYP XYP 0.9032
120 25F 0.9031
121 ADN 0.9028
122 CZ0 0.9028
123 LOT 0.9027
124 BBY 0.9026
125 AP6 0.9025
126 BZE 0.9025
127 S0D 0.9024
128 AOY 0.9021
129 NOS 0.9020
130 DX7 0.9019
131 HBI 0.9018
132 MZR 0.9016
133 SZ5 0.9015
134 4ZF 0.9014
135 0FR 0.9012
136 TJM 0.9012
137 A63 0.9011
138 47V 0.9008
139 97K 0.9007
140 M3W 0.9006
141 7EH 0.9006
142 7FZ 0.9006
143 BP7 0.9001
144 XCG 0.8999
145 YE7 0.8998
146 FZM 0.8997
147 3F4 0.8997
148 HRM 0.8996
149 2J1 0.8992
150 6H2 0.8992
151 IMH 0.8991
152 3SU 0.8990
153 1HP 0.8990
154 A9B 0.8989
155 MFR 0.8988
156 EST 0.8988
157 2D2 0.8987
158 CHQ 0.8987
159 0DF 0.8986
160 FQX 0.8983
161 0K7 0.8982
162 1KN 0.8980
163 J3Z 0.8976
164 A6W 0.8976
165 08C 0.8972
166 IXM 0.8971
167 Q4G 0.8968
168 5WK 0.8968
169 MHB 0.8968
170 ZHA 0.8968
171 ODK 0.8967
172 7L4 0.8967
173 WCU 0.8967
174 EQA 0.8966
175 LFN 0.8965
176 0OK 0.8963
177 IMK 0.8962
178 RKV 0.8962
179 XYS XYP 0.8959
180 TMG 0.8957
181 TOH 0.8955
182 5V7 0.8955
183 4Z1 0.8954
184 H2W 0.8950
185 KLE 0.8950
186 ZZA 0.8948
187 5F8 0.8948
188 XYP XIF 0.8946
189 XIF XYP 0.8946
190 CDJ 0.8946
191 3D1 0.8944
192 27M 0.8942
193 MXD 0.8941
194 W8L 0.8938
195 AD3 0.8936
196 HRD 0.8934
197 EMU 0.8933
198 RUG 0.8932
199 TIA 0.8929
200 9TF 0.8929
201 LL1 0.8929
202 5NN 0.8926
203 M3F 0.8924
204 ARJ 0.8924
205 801 0.8924
206 BIK 0.8922
207 UA2 0.8921
208 JP2 0.8918
209 XDL XYP 0.8918
210 WG8 0.8917
211 C0H 0.8917
212 FMC 0.8914
213 NOC 0.8910
214 8G6 0.8909
215 5UD 0.8909
216 GNV 0.8907
217 5H6 0.8903
218 5I5 0.8901
219 MUK 0.8900
220 P4L 0.8899
221 TYR 0.8898
222 H35 0.8897
223 E9L 0.8894
224 3WK 0.8893
225 Q9T 0.8892
226 VT3 0.8891
227 JAH 0.8889
228 C0W 0.8889
229 NW1 0.8889
230 0X2 0.8888
231 LI7 0.8887
232 2UD 0.8886
233 3IP 0.8885
234 K7H 0.8885
235 AMR 0.8884
236 2GQ 0.8883
237 3J8 0.8880
238 HH6 0.8877
239 NEU 0.8876
240 FC2 0.8876
241 68B 0.8876
242 27F 0.8876
243 JWS 0.8875
244 A51 0.8874
245 NE2 0.8873
246 IQQ 0.8872
247 DRG 0.8872
248 5TZ 0.8869
249 P4T 0.8869
250 WV7 0.8868
251 6MW 0.8867
252 1ZC 0.8865
253 ENO 0.8864
254 UN9 0.8863
255 AZC 0.8863
256 M78 0.8862
257 L2K 0.8862
258 1V4 0.8862
259 0NJ 0.8861
260 79W 0.8861
261 SOV 0.8860
262 TBN 0.8860
263 URI 0.8860
264 NDD 0.8859
265 8M5 0.8857
266 7ZL 0.8856
267 GVY 0.8856
268 U19 0.8856
269 FER 0.8855
270 JFS 0.8852
271 6P3 0.8851
272 X11 0.8850
273 3GX 0.8850
274 3VS 0.8850
275 6SD 0.8848
276 RBV 0.8847
277 1AJ 0.8847
278 5XL 0.8846
279 39Z 0.8846
280 XDN XYP 0.8846
281 XYP XDN 0.8846
282 6DQ 0.8846
283 4CN 0.8845
284 68A 0.8844
285 NIY 0.8843
286 92G 0.8843
287 GAT 0.8842
288 120 0.8842
289 5FL 0.8842
290 FCW 0.8841
291 XI7 0.8838
292 5N5 0.8838
293 6VW 0.8837
294 FMB 0.8837
295 OLU 0.8835
296 3Q0 0.8833
297 IIH 0.8833
298 MD6 0.8832
299 397 0.8832
300 ZYQ 0.8831
301 0ON 0.8830
302 THM 0.8827
303 IKY 0.8827
304 WUB 0.8826
305 L5D 0.8826
306 5E1 0.8825
307 0LO 0.8823
308 BRY 0.8823
309 1UZ 0.8822
310 1V8 0.8821
311 6BK 0.8820
312 7G2 0.8819
313 9RM 0.8818
314 245 0.8818
315 VM1 0.8813
316 GEN 0.8812
317 3L1 0.8812
318 9OF 0.8812
319 N8Z 0.8811
320 HNT 0.8811
321 B23 0.8811
322 6ZE 0.8808
323 2QV 0.8807
324 WS6 0.8807
325 R18 0.8806
326 JSX 0.8806
327 XIL 0.8805
328 K80 0.8805
329 ZEA 0.8805
330 TCC 0.8803
331 ESR 0.8802
332 X0U 0.8800
333 IDD 0.8799
334 11X 0.8799
335 AH9 0.8798
336 KLV 0.8798
337 1FE 0.8797
338 4G2 0.8797
339 5OR 0.8797
340 BMZ 0.8797
341 C53 0.8797
342 49P 0.8796
343 JTA 0.8793
344 EES 0.8791
345 TXQ 0.8790
346 122 0.8789
347 KYN 0.8789
348 GJK 0.8788
349 DAH 0.8784
350 L1T 0.8783
351 A04 0.8783
352 HNK 0.8781
353 QIV 0.8780
354 1YO 0.8779
355 795 0.8777
356 AGI 0.8777
357 CTN 0.8774
358 CR4 0.8772
359 V2Z 0.8772
360 NU3 0.8770
361 YZ9 0.8770
362 LJ3 0.8770
363 91F 0.8770
364 MDR 0.8769
365 6T5 0.8769
366 WS7 0.8768
367 RSV 0.8767
368 G2V 0.8767
369 TID 0.8767
370 3Y7 0.8766
371 5ID 0.8762
372 ID8 0.8762
373 3WL 0.8762
374 VC3 0.8761
375 6ZW 0.8761
376 BHS 0.8761
377 Z15 0.8761
378 IQZ 0.8760
379 5WW 0.8760
380 F2W 0.8760
381 BJ4 0.8759
382 2LT 0.8758
383 AUY 0.8757
384 YEX 0.8757
385 LR8 0.8756
386 QME 0.8755
387 SNI 0.8754
388 372 0.8753
389 KLS 0.8753
390 IK1 0.8752
391 CK2 0.8749
392 Y3L 0.8747
393 6FG 0.8747
394 AN3 0.8745
395 1EL 0.8745
396 MJW 0.8745
397 HBO 0.8744
398 XYS XYS 0.8743
399 BPY 0.8743
400 GO2 0.8742
401 BVS 0.8741
402 PMP 0.8736
403 338 0.8736
404 3JC 0.8736
405 4AB 0.8736
406 DBS 0.8733
407 0NX 0.8733
408 UL1 0.8732
409 NIR 0.8731
410 7G0 0.8731
411 GNM 0.8731
412 ZME 0.8730
413 4I8 0.8730
414 5ER 0.8730
415 4F8 0.8729
416 2FX 0.8729
417 Z57 0.8727
418 S1D 0.8726
419 H2B 0.8724
420 PRH 0.8722
421 8D6 0.8722
422 0OP 0.8722
423 MHD GAL 0.8722
424 7O4 0.8721
425 B2T 0.8719
426 DUR 0.8719
427 1VK 0.8718
428 5SD 0.8718
429 VUP 0.8717
430 AVA 0.8717
431 SWX 0.8716
432 XYA 0.8715
433 WA1 0.8714
434 5P3 0.8710
435 5AE 0.8710
436 NAL 0.8709
437 TLF 0.8705
438 L03 0.8704
439 8DA 0.8703
440 8CC 0.8697
441 1Z6 0.8695
442 OA4 0.8690
443 4L2 0.8689
444 5FD 0.8688
445 1A7 0.8687
446 8SK 0.8686
447 FNT 0.8686
448 5F5 0.8686
449 1EB 0.8684
450 GVI 0.8683
451 1V0 0.8682
452 MTA 0.8680
453 GNG 0.8680
454 U14 0.8680
455 5ZM 0.8679
456 ZTW 0.8679
457 DT7 0.8679
458 17M 0.8678
459 DCZ 0.8676
460 GNJ 0.8675
461 XRS 0.8674
462 PUR 0.8674
463 P9I 0.8673
464 CUE 0.8673
465 PCQ 0.8673
466 SGW 0.8673
467 QC1 0.8672
468 RDT 0.8671
469 Z21 0.8671
470 2GD 0.8670
471 3VX 0.8670
472 6QT 0.8668
473 GZ2 0.8667
474 KWB 0.8667
475 6C8 0.8666
476 KF5 0.8666
477 ALE 0.8666
478 MCY 0.8664
479 5GV 0.8664
480 VBC 0.8663
481 I5A 0.8661
482 LI4 0.8659
483 F16 0.8657
484 DHT 0.8657
485 51Y 0.8656
486 GJB 0.8654
487 205 0.8653
488 ESZ 0.8651
489 G30 0.8650
490 E9S 0.8650
491 NE1 0.8649
492 1YL 0.8649
493 FLF 0.8649
494 L15 0.8649
495 EMO 0.8648
496 A 0.8643
497 G6P 0.8643
498 6MD 0.8640
499 EDZ 0.8640
500 9DI 0.8639
501 THA 0.8637
502 CJZ 0.8637
503 L22 0.8637
504 3R4 0.8636
505 EN1 0.8636
506 AQN 0.8635
507 N2M 0.8629
508 UKV 0.8629
509 DHC 0.8623
510 XDK 0.8621
511 124 0.8620
512 TES 0.8619
513 ANF 0.8619
514 GXD 0.8618
515 5CQ 0.8616
516 M83 0.8615
517 DTR 0.8614
518 FYR 0.8613
519 U4J 0.8612
520 A4D 0.8612
521 LEL 0.8612
522 XYP XYS 0.8606
523 12R 0.8604
524 XTS 0.8603
525 5TO 0.8602
526 NIF 0.8601
527 P93 0.8601
528 TH4 0.8597
529 28B 0.8597
530 121 0.8594
531 AOM 0.8592
532 C82 0.8592
533 88X 0.8591
534 HPR 0.8591
535 5SJ 0.8589
536 N91 0.8589
537 JF5 0.8582
538 QBP 0.8582
539 XEV 0.8580
540 6C4 0.8578
541 2FA 0.8576
542 7FU 0.8574
543 IOP 0.8574
544 5NB 0.8573
545 GNY 0.8572
546 LIG 0.8570
547 LTN 0.8567
548 PLP 0.8566
549 1UT 0.8561
550 3N0 0.8560
551 8V8 0.8559
552 AOX 0.8555
553 HFT 0.8553
554 DT9 0.8547
555 GAA 0.8543
556 J38 0.8542
557 3RP 0.8528
558 CK1 0.8528
559 613 0.8525
560 T5J 0.8521
561 JMG 0.8520
562 X0T 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6QRB; Ligand: JEQ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6qrb.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6QRB; Ligand: JEQ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 6qrb.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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