-->
Receptor
PDB id Resolution Class Description Source Keywords
3N8K 2.25 Å EC: 4.2.1.10 TYPE II DEHYDROQUINASE FROM MYCOBACTERIUM TUBERCULOSIS COMPL CITRAZINIC ACID MYCOBACTERIUM TUBERCULOSIS DEHYDRATASE SHIKIMATE PATHWAY LYASE AROMATIC AMINO ACID BIOSYNTHESIS TUBERCULOSIS DRUG TARGET CITRAZINIC ACID SGENOMICS TB STRUCTURAL GENOMICS CONSORTIUM TBSGC
Ref.: STRUCTURAL INVESTIGATION OF INHIBITOR DESIGNS TARGE 3-DEHYDROQUINATE DEHYDRATASE FROM THE SHIKIMATE PAT MYCOBACTERIUM TUBERCULOSIS. BIOCHEM.J. V. 436 729 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:148;
B:148;
C:148;
C:149;
C:150;
D:148;
D:149;
D:150;
E:148;
E:149;
F:148;
H:148;
I:148;
J:148;
J:149;
K:148;
K:149;
L:148;
L:149;
M:147;
N:148;
O:148;
P:148;
Q:147;
S:148;
V:148;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
D1X A:147;
B:147;
C:147;
D:147;
E:147;
F:147;
G:147;
H:147;
I:147;
J:147;
K:147;
L:147;
M:150;
N:147;
O:147;
P:147;
R:147;
S:147;
T:147;
U:147;
V:147;
W:147;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
Ki = 300 uM
155.108 C6 H5 N O4 C1C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3N8K 2.25 Å EC: 4.2.1.10 TYPE II DEHYDROQUINASE FROM MYCOBACTERIUM TUBERCULOSIS COMPL CITRAZINIC ACID MYCOBACTERIUM TUBERCULOSIS DEHYDRATASE SHIKIMATE PATHWAY LYASE AROMATIC AMINO ACID BIOSYNTHESIS TUBERCULOSIS DRUG TARGET CITRAZINIC ACID SGENOMICS TB STRUCTURAL GENOMICS CONSORTIUM TBSGC
Ref.: STRUCTURAL INVESTIGATION OF INHIBITOR DESIGNS TARGE 3-DEHYDROQUINATE DEHYDRATASE FROM THE SHIKIMATE PAT MYCOBACTERIUM TUBERCULOSIS. BIOCHEM.J. V. 436 729 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3N8K Ki = 300 uM D1X C6 H5 N O4 C1C(=CC(=O....
70% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3N87 Ki = 11 uM N87 C20 H18 O6 c1ccc(cc1)....
2 2Y76 Ki = 440 nM CB7 C25 H22 O6 S2 c1cc2c(ccs....
3 3N7A Ki = 200 uM FA1 C7 H10 O5 C1[C@H]([C....
4 4B6O Ki = 100 nM 3DQ C15 H18 O7 COc1ccc(cc....
5 2Y71 Ki = 42.5 nM CB6 C17 H18 O6 S Cc1ccc2c(c....
6 4CIW Ki = 15 uM XH2 C9 H14 O6 C1[C@H]([C....
7 4B6P Ki = 74 nM 2HN C14 H11 F5 O6 C1[C@H]([C....
8 3N8N Ki = 27 uM N88 C12 H19 N O6 CC(C)(C)NC....
9 3N76 Ki = 0.14 uM CA2 C16 H22 O6 c1ccc(cc1)....
10 4CIY Ki = 27 uM NDY C15 H18 O6 c1ccc(cc1)....
11 1H0R Ki = 200 uM FA1 C7 H10 O5 C1[C@H]([C....
12 3N86 Ki = 2.3 uM RJP C16 H17 N O6 c1ccc(cc1)....
13 2XB8 Ki = 26 nM XNW C15 H18 O7 COc1ccc(cc....
14 1H0S - FA6 C7 H11 N O6 C1[C@H]([C....
15 4B6Q Ki = 28 nM BZ5 C16 H16 O6 S c1cc2c(ccs....
16 2Y77 Ki = 250 nM CB8 C21 H20 O6 S2 c1ccc2c(c1....
17 3N8K Ki = 300 uM D1X C6 H5 N O4 C1C(=CC(=O....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3N87 Ki = 11 uM N87 C20 H18 O6 c1ccc(cc1)....
2 2Y76 Ki = 440 nM CB7 C25 H22 O6 S2 c1cc2c(ccs....
3 3N7A Ki = 200 uM FA1 C7 H10 O5 C1[C@H]([C....
4 4B6O Ki = 100 nM 3DQ C15 H18 O7 COc1ccc(cc....
5 2Y71 Ki = 42.5 nM CB6 C17 H18 O6 S Cc1ccc2c(c....
6 4CIW Ki = 15 uM XH2 C9 H14 O6 C1[C@H]([C....
7 4B6P Ki = 74 nM 2HN C14 H11 F5 O6 C1[C@H]([C....
8 3N8N Ki = 27 uM N88 C12 H19 N O6 CC(C)(C)NC....
9 1GTZ - DHK C7 H10 O5 C1[C@@H](C....
10 3N8K Ki = 300 uM D1X C6 H5 N O4 C1C(=CC(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: D1X; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 D1X 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 72
This union binding pocket(no: 1) in the query (biounit: 3n8k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2AG5 NAD None
2 2AQX ATP None
3 1TUK PGM None
4 3KA2 2NC 1.16279
5 3FSM 2NC 1.16279
6 5GM1 SAH 1.74419
7 1KYZ SAH 2.90698
8 1Q8S MAN MMA 2.90698
9 5JE0 AZ8 3.48837
10 5JE0 SAH 3.48837
11 6CI9 F3V 3.48837
12 1V8B NAD 3.48837
13 2FK8 SAM 4.06977
14 1L1E SAH 4.06977
15 3CTY FAD 4.06977
16 4EWH T77 4.06977
17 2H6B 3C4 4.06977
18 2OEM 1AE 4.06977
19 4EI7 GDP 4.37018
20 3MAX LLX 4.65116
21 4CQM NAP 4.65116
22 5VNB ALA THR ALY ALA ALA ARG ALY SER ALA PRO 4.65116
23 3G6M CFF 4.65116
24 6ECW SAH 4.65116
25 1OFZ FUC 5.81395
26 1OFZ FUL 5.81395
27 5O4J SAH 5.81395
28 5O4J 9KH 5.81395
29 5JGL SAM 5.81395
30 3ORF NAD 5.81395
31 4S00 AKR 6.39535
32 2G2Y MLI 6.39535
33 3BEO UD1 6.39535
34 3RYC GTP 6.65188
35 5EYP GDP 6.65188
36 5ITZ GDP 6.65188
37 5EIB GTP 6.65188
38 3RYC GDP 6.65188
39 5UY8 AMZ 6.97674
40 4FBL SPD 7.55814
41 5VCV 1N1 7.55814
42 6ECT SAM 8.13953
43 2R4J FAD 8.13953
44 2R4J 13P 8.13953
45 4OBW SAM 8.13953
46 2DX7 CIT 8.72093
47 5G3U FDA 8.72093
48 4Y8D 49J 9.28571
49 4NES UDP 9.30233
50 5YJF SAH 9.30233
51 5YJF 8WO 9.30233
52 5GT9 NAP 9.30233
53 1XKQ NDP 9.88372
54 1E6W NAD 10.4651
55 1E3W NAD 10.4651
56 1U7T TDT 11.0465
57 4MIG G3F 12.2093
58 2IMP LAC 12.7907
59 2WET FAD 13.3721
60 5M67 NAD 13.3721
61 6F3M NAD 13.9535
62 4JB1 FAD 13.9535
63 5GWT NAD 14.5349
64 5GWT SIN 14.5349
65 3OND ADN 15.1163
66 3OND NAD 15.1163
67 3MWS 017 16.1616
68 4NEC SAH 16.8605
69 4ZOH MCN 18.0233
70 4WAS NAP 18.6047
71 3AY6 NAI 25.5814
72 3ZIA ADP 28.5714
Pocket No.: 2; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 28
This union binding pocket(no: 2) in the query (biounit: 3n8k.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZEI CRS None
2 2QX0 PH2 None
3 5E1M PRO PRO LYS ARG ILE ALA 2.32558
4 5E1M SAH 2.32558
5 1QM5 GLC GLC GLC PO4 SGC GLC 2.32558
6 1D6S PLP MET 2.32558
7 1D6S MET PLP 2.32558
8 4ONQ SFG 2.90698
9 5ETR APC 3.10559
10 5ETR 5RW 3.10559
11 4K4D HFQ 3.64964
12 1PSC EBP 4.06977
13 5DXV NAP 5.12821
14 4CZG ADP 5.23256
15 4CZG QH3 5.23256
16 2C9O ADP 5.23256
17 3BEO UDP 6.39535
18 5UAO FAD 6.39535
19 6D6Y SAH 6.39535
20 5EKO N17 6.39535
21 5ETJ IM5 6.39535
22 4W6Z 8ID 6.97674
23 1FFU CDP 8.01394
24 4BTK DTQ 8.13953
25 5G3U ITW 8.72093
26 3E8T UQ8 9.30233
27 5HGZ ACO 11.0465
28 2DKN NAI 14.5349
Pocket No.: 3; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 32
This union binding pocket(no: 3) in the query (biounit: 3n8k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3EF0 ALF 2.32558
2 1UKG MMA 2.90698
3 1Q8Q MAN MMA 2.90698
4 6H3O FAD 2.90698
5 1H5Q NAP 2.90698
6 5Z75 NAD 2.90698
7 2IV2 MGD 3.48837
8 1KPG SAH 4.06977
9 6AM8 PLT 4.06977
10 6AMI TRP 4.06977
11 4XDY HIO 4.65116
12 2J1E NDG GAL 5.33333
13 5O4J PJL 5.81395
14 4RPM HXC 6.39535
15 2AQJ FAD 6.39535
16 2AQJ TRP 6.39535
17 5T67 SAH 6.39535
18 1RM6 FAD 6.97674
19 3VPB ADP 6.97674
20 3WMX NAD 7.55814
21 3SJU NDP 7.55814
22 1EU8 TRE 7.55814
23 3NRZ FAD 8.72093
24 1N62 FAD 10.4651
25 5NLM IOS 12.2093
26 1FUI FOC 12.7907
27 6ECU SAH 13.3721
28 5WZE PRO 13.9535
29 2WSB NAD 16.5354
30 5UFS 1TA 17.4419
31 1T3Q FAD 19.7674
32 5MPT SAH 27.3256
Pocket No.: 4; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 16
This union binding pocket(no: 4) in the query (biounit: 3n8k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3WYJ H78 2.32558
2 1B09 PC 2.90698
3 2DTX BMA 4.06977
4 4ZLU ADP 4.06977
5 5ZZ6 NAD 4.65116
6 2CDU FAD 5.81395
7 5KOK S9T 6.97674
8 5KOK R9T 6.97674
9 1E8G FCR 9.88372
10 1E8G FAD 9.88372
11 5M67 3D1 13.3721
12 5M67 ADE 13.3721
13 5HVJ ANP 13.3721
14 4JB1 NAP 13.9535
15 6G9I CXX 16.0714
16 5EYK 5U5 22.0339
Pocket No.: 5; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 4
This union binding pocket(no: 5) in the query (biounit: 3n8k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4YKI GLY 4.06977
2 1RF6 S3P 4.06977
3 2PLK P3D 5.23256
4 4URX HXY 10.2703
Pocket No.: 6; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 6
This union binding pocket(no: 6) in the query (biounit: 3n8k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3G2O SAM 4.06977
2 2V5X V5X 5.81395
3 2AE2 NAP 6.97674
4 5EJ2 NAD 6.97674
5 4YS0 ADP 8.13953
6 4PNE SAH 12.7907
Pocket No.: 7; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 6
This union binding pocket(no: 7) in the query (biounit: 3n8k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 6DUB SAH 3.6036
2 4KRI SAH 5.81395
3 4LNU GDP 6.65188
4 4CJN QNZ 8.72093
5 3RC1 NAP 9.88372
6 4GBM A3P 9.88372
Pocket No.: 8; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 12
This union binding pocket(no: 8) in the query (biounit: 3n8k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1KPH SAH 4.06977
2 5Z21 OXM 5.23256
3 5G5G FAD 5.23256
4 2UUU FAD 5.23256
5 6H45 QEI 6.39535
6 2BD0 NAP 6.39535
7 1KNR FAD 6.97674
8 2V58 LZJ 9.30233
9 4UP4 GAL NAG 9.30233
10 6FL8 TIY 14.5349
11 6FL8 ADP 14.5349
12 3AY6 BGC 25.5814
Pocket No.: 9; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 4
This union binding pocket(no: 9) in the query (biounit: 3n8k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1J0D 5PA 5.81395
2 5YJI 8WO 6.97674
3 5YJI SAH 6.97674
4 5Y9D FAD 8.72093
Pocket No.: 10; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 6
This union binding pocket(no: 10) in the query (biounit: 3n8k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZES MMA 2.04082
2 2UUU PL3 5.23256
3 4YZN 4K5 6.39535
4 5ITZ GTP 6.65188
5 1V7C HEY 6.97674
6 5DZT AMP 6.97674
Pocket No.: 11; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 7
This union binding pocket(no: 11) in the query (biounit: 3n8k.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3OVR 5SP 1.74419
2 4A2A ATP 2.90698
3 6CI9 NAP 3.48837
4 5AE2 FAD 5.81395
5 2GJN NIS 7.55814
6 5G5W R8C 11.0465
7 3H22 B53 21.5116
Pocket No.: 12; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 14
This union binding pocket(no: 12) in the query (biounit: 3n8k.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2WQ4 SFU None
2 4POW OP1 4.06977
3 1TPY SAH 4.06977
4 1K97 CIR 4.65116
5 1K97 ASP 4.65116
6 1MV8 NAD 5.81395
7 1MUU NAD 5.81395
8 4GNC ASO 5.81395
9 2Q7D ANP 6.39535
10 3GGU 017 7.07071
11 6HOY TSN 7.55814
12 4GIM PSU 7.55814
13 4BLW AMP 8.13953
14 2H7C COA 18.0233
Pocket No.: 13; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 7
This union binding pocket(no: 13) in the query (biounit: 3n8k.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5LXB 7A9 None
2 1TMM HHR None
3 1TMM APC None
4 1KOL NAD 2.32558
5 5JQ1 ZPF 5.51724
6 3KMZ EQO 5.81395
7 5Y6Q MCN 19.7674
Pocket No.: 14; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 131
This union binding pocket(no: 14) in the query (biounit: 3n8k.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3BL6 FMC None
2 5D4V SAH None
3 2I7C AAT 1.16279
4 1CBK ROI 1.25
5 2O07 SPD 1.74419
6 2O07 MTA 1.74419
7 3SAO DBH 1.875
8 4RPL FAD 2.32558
9 4RPL 3UC 2.32558
10 3SFI 3SF 2.32558
11 1I8T FAD 2.32558
12 4OI4 ATP 2.32558
13 6AYR BIG 2.32558
14 2RGO FAD 3.45964
15 1FUR MLT 3.48837
16 4H6Q TFB 3.48837
17 1NV8 MEQ 3.48837
18 5TTJ FAD 3.48837
19 1NV8 SAM 3.48837
20 1YKJ FAD 3.48837
21 4MO2 FDA 3.48837
22 3D1R FBP 3.48837
23 4WKB TDI 3.48837
24 1UWK URO 4.06977
25 1UWK NAD 4.06977
26 1Q9I FAD 4.06977
27 1Q9I TEO 4.06977
28 1QO8 FAD 4.06977
29 1WG8 SAM 4.06977
30 3B6R CRN 4.06977
31 1XCL SAH 4.06977
32 5BVA FAD 4.06977
33 4WXJ GLU 4.06977
34 6B92 SAH 4.06977
35 1VQW FAD 4.06977
36 6GFK SAH 4.06977
37 1DUB CAA 4.5977
38 5EZ7 FAD 4.65116
39 5MBX SP5 4.65116
40 5MBX FAD 4.65116
41 4R6W SAH 4.65116
42 2B9W FAD 5.23256
43 4D7E FAD 5.23256
44 3RNM FAD 5.23256
45 5BUK FAD 5.23256
46 5TUK FAD 5.23256
47 2Q3M MLA 5.23256
48 5TUF FAD 5.81395
49 5TUF TDC 5.81395
50 3H2B SAH 5.81395
51 5ZI9 FLC 5.81395
52 1COY FAD 5.81395
53 1RSG FAD 5.81395
54 4JWF SAH 5.81395
55 2RGJ FAD 5.81395
56 6FHO FAD 5.81395
57 4JWH SAH 5.81395
58 1E6E FAD 6.25
59 1PN0 FAD 6.39535
60 1PN0 IPH 6.39535
61 1D4D FAD 6.39535
62 5GMD AGS 6.39535
63 1V59 FAD 6.39535
64 5GMD DP6 6.39535
65 1X87 NAD 6.39535
66 1JG3 ADN 6.39535
67 2IVD FAD 6.39535
68 3LCC SAH 6.39535
69 3IHG FAD 6.39535
70 4RUS NAG 6.97674
71 3E1T FAD 6.97674
72 5KOK SAH 6.97674
73 1REO FAD 6.97674
74 3NYC IAR 7.55814
75 3NYC FAD 7.55814
76 5J60 FAD 7.55814
77 3GF4 FAD 7.55814
78 2F5Z FAD 7.55814
79 1JQ3 AAT 7.55814
80 2FKA BEF 7.75194
81 3GRU AMP 8.13953
82 5WKC FAD 8.13953
83 3VC1 GST 8.13953
84 3VC1 SAH 8.13953
85 1T9D FAD 8.13953
86 1DCP HBI 8.65385
87 2OBF F83 8.72093
88 2OBF SAH 8.72093
89 5TS5 FAD 8.72093
90 3FPZ AHZ 8.89571
91 6AYU F6P 9.30233
92 5I39 FAD 9.30233
93 1XTP SAI 9.88372
94 1NAA 6FA 9.88372
95 2NXE SAM 9.88372
96 6BKA FMN 9.88372
97 3S5W FAD 9.88372
98 4RSL FAD 10.4651
99 3N3T C2E 11.0465
100 4C4A SAH 11.0465
101 3FPF MTA 11.6279
102 3FPF TNA 11.6279
103 5WP4 SAH 11.6279
104 5TWB FAD 12.7907
105 4YAG NAI 12.7907
106 5A3B APR 12.7907
107 1ZQ9 SAM 13.3721
108 4YMH SAH 13.3721
109 1VRP IOM 13.3721
110 1RP0 AHZ 13.3721
111 4L2I NAD 13.9535
112 2BRY FAD 14.5349
113 5ODQ FAD 16.2791
114 2YG3 FAD 16.2791
115 5ZYN FAD 16.8605
116 3E8N VRA 16.8605
117 3E8N ATP 16.8605
118 3A4T SFG 17.4419
119 3FUU ADN 17.4419
120 1P1C SAH 18.0233
121 4WAS COO 18.6047
122 4TXI FAD 18.6047
123 1NVM NAD 19.186
124 4JWJ SAH 19.186
125 1T3Q MCN 19.7674
126 4QTU SAM 20.7407
127 4M73 SAH 21.5116
128 4M73 M72 21.5116
129 5JCA FAD 22.6744
130 1Y8Q ATP 25
131 5WP5 SAH 30.814
Pocket No.: 15; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 4
This union binding pocket(no: 15) in the query (biounit: 3n8k.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5WBF LAC 2.90698
2 1UM0 FMN 5.23256
3 5HH0 COA 11.0465
4 5X8G S0N 15.6977
Pocket No.: 16; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 4
This union binding pocket(no: 16) in the query (biounit: 3n8k.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4M3P HCS 4.65116
2 4CCW VKC 5.81395
3 3HB5 NAP 10.4651
4 4A1O JLN 15.6977
Pocket No.: 17; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 9
This union binding pocket(no: 17) in the query (biounit: 3n8k.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1AWI PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO None
2 3BY8 MLT 2.8169
3 5OD2 GLC 2.90698
4 2FTB OLA 3.2
5 3B8X G4M 4.06977
6 5DRB 5FJ 5.23256
7 2C3Q GTX 6.88259
8 4ZAH T5K 6.97674
9 1YNH SUO 8.13953
Pocket No.: 18; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 3n8k.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 1
This union binding pocket(no: 19) in the query (biounit: 3n8k.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1NSA BEN 5.81395
Pocket No.: 20; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 2
This union binding pocket(no: 20) in the query (biounit: 3n8k.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3NW7 LGV 2.90698
2 4LSJ LSJ 11.0465
Pocket No.: 21; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 39
This union binding pocket(no: 21) in the query (biounit: 3n8k.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5IDB BMA None
2 5IDB MAN None
3 3WDM ADN None
4 3QVP FAD 2.32558
5 4Y30 SAH 2.32558
6 4Y30 49L 2.32558
7 1QAN SAH 3.48837
8 4UCC ZKW 3.48837
9 1DL5 SAH 3.48837
10 1SR7 MOF 4.06977
11 2GMH FAD 4.65116
12 4R6W PC 4.65116
13 1JQD SAH 4.65116
14 3KLJ FAD 4.65116
15 1U6R IOM 4.65116
16 1FWM CB3 4.65116
17 5X80 SAL 5
18 5NV9 SLB 5.23256
19 3NDJ JHZ 5.81395
20 3NDJ SAH 5.81395
21 4H4D 10E 6.39535
22 5T67 JHZ 6.39535
23 1RM6 PCD 6.97674
24 4C3Y FAD 7.55814
25 4X9M FAD 8.72093
26 4BUY F37 8.72093
27 3G6K POP 9.30233
28 3G6K FAD 9.30233
29 6A0S HSE 12.7907
30 6A0S NDP 12.7907
31 4B4U NAP 12.7907
32 3HRD MCN 13.3721
33 5FJN BE2 13.9535
34 5FJN FAD 13.9535
35 1N07 FMN 14.1104
36 2G5C NAD 16.2791
37 4LHD GLY 16.2791
38 3GGO NAI 16.8605
39 2CDN ADP 18.0233
Pocket No.: 22; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: 3
This union binding pocket(no: 22) in the query (biounit: 3n8k.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2CFC NAD None
2 1PK8 ATP 4.06977
3 1OF8 G3P 16.2791
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