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Receptor
PDB id Resolution Class Description Source Keywords
1Q7B 2.05 Å EC: 1.1.1.100 THE STRUCTURE OF BETAKETOACYL-[ACP] REDUCTASE FROM E. COLI IN COMPLEX WITH NADP+ ESCHERICHIA COLI OXOACYL REDUCTASE; NADP+; CRYSTAL STRUCTURE OXIDOREDUCTASE
Ref.: COFACTOR-INDUCED CONFORMATIONAL REARRANGEMENTS ESTABLISH A CATALYTICALLY COMPETENT ACTIVE SITE AND A PROTON RELAY CONDUIT IN FABG STRUCTURE V. 12 417 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:9002;
A:9006;
A:9007;
B:9001;
B:9003;
B:9008;
C:9004;
D:9005;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
NAP A:1901;
B:2901;
C:3901;
D:4901;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 3.5 uM
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Q7B 2.05 Å EC: 1.1.1.100 THE STRUCTURE OF BETAKETOACYL-[ACP] REDUCTASE FROM E. COLI IN COMPLEX WITH NADP+ ESCHERICHIA COLI OXOACYL REDUCTASE; NADP+; CRYSTAL STRUCTURE OXIDOREDUCTASE
Ref.: COFACTOR-INDUCED CONFORMATIONAL REARRANGEMENTS ESTABLISH A CATALYTICALLY COMPETENT ACTIVE SITE AND A PROTON RELAY CONDUIT IN FABG STRUCTURE V. 12 417 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 4BNT ic50 = 137.69 uM 36E C8 H5 F3 N2 c1ccc2c(c1....
4 4BNY ic50 = 0.08 uM 36I C16 H15 N3 O S c1ccc(cc1)....
5 4BNV ic50 = 0.03 uM Q7U C15 H13 Cl N4 O Cn1c2ccccc....
6 4BO1 ic50 = 0.05 uM NKH C18 H15 Cl N2 O3 COc1cc(c(c....
7 4BO0 ic50 = 0.2 uM FXE C17 H18 N4 O3 Cn1c2cccc(....
8 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
9 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
10 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
11 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
12 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
13 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
50% Homology Family (77)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1E6W - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1E3S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 3A28 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 3SJU - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 1X7H - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 1W4Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 2RHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 3RI3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
9 2RHC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
12 1GEG - GLC C6 H12 O6 C([C@@H]1[....
13 4N5N - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 4QEC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
15 4QED - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
16 3AY6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 3AUU - BGC C6 H12 O6 C([C@@H]1[....
18 3AUT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
19 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
20 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
21 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
22 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
23 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
24 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
25 4NBT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 1IPF - TNE C8 H13 N O CN1[C@H]2C....
27 5OVK - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
28 1NFQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
29 6CI9 - F3V C3 H7 N O CC(=O)CN
30 2ZTU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 2ZTM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 1X1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 5O72 Ki = 23 nM 9MH C18 H14 F N3 O3 c1cc(cc2c1....
34 5HS6 - J3Z C18 H22 O2 C[C@]12CC[....
35 5L7W Ki = 11 nM 6QU C18 H11 F2 N O4 c1cc(c(c(c....
36 5O6O Ki = 58 nM 9MB C17 H11 F2 N O3 c1cc(c(c(c....
37 5ICM - GLC C6 H12 O6 C([C@@H]1[....
38 5O7C Ki = 9 nM 9N2 C17 H9 F N2 O2 c1cc(cc2c1....
39 5JS6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 5JSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 4JP3 - CIT C6 H8 O7 C(C(=O)O)C....
42 4NBW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 2Q2Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1DOH Ki = 2.4 nM NID C9 H5 N O3 c1cc2c(c(c....
45 4ITU - 1HS C5 H12 O4 S2 C[C@@H](CS....
46 4RF2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
47 1GCO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
48 1G6K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
49 1GEE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 5EPO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
51 4URE - 1PS C8 H11 N O3 S c1cc[n+](c....
52 4URF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 4OSO - 2V4 C19 H14 O6 C[C@]1(Cc2....
54 5OJI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
55 4FN4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 5WUW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
57 2EWM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 2B4Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
59 6F9Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 3AI2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
61 1IY8 Ki = 23.8 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 4CR7 - MAN C6 H12 O6 C([C@@H]1[....
63 5ITV - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
64 1FMC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 1AHH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 5B4V - DXX C4 H6 O4 CC(C(=O)O)....
67 5B4U - MLA C3 H4 O4 C(C(=O)O)C....
68 5FF9 ic50 = 5230 uM AEF C8 H11 N O c1cc(ccc1C....
69 5FFF ic50 = 425 uM 5XC C8 H6 O3 c1cc2c(cc1....
70 5THQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
71 1AE1 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
72 1PR9 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
73 1WNT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
74 2BGM - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
75 2GDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
76 1HDC Ki = 1 uM CBO C34 H50 O7 CC1([C@@H]....
77 3QWI ic50 = 2.8 uM CUE C15 H8 O5 c1cc2c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NHD 0.68254 0.958904
10 NJP 0.661417 0.972973
11 NFD 0.658915 0.934211
12 NXX 0.619048 0.959459
13 DND 0.619048 0.959459
14 AMP NAD 0.606061 0.958904
15 ZID 0.605839 0.972603
16 NAQ 0.59854 0.922078
17 ATR 0.59292 0.917808
18 NAE 0.591241 0.946667
19 NDE 0.58042 0.986301
20 A22 0.571429 0.958904
21 NAJ 0.567164 0.986111
22 A2R 0.563025 0.932432
23 NDC 0.561644 0.922078
24 NA7 0.552846 0.907895
25 ODP 0.551471 0.935065
26 A2P 0.539823 0.930556
27 8ID 0.537313 0.910256
28 NPW 0.525547 0.8875
29 NZQ 0.521739 0.910256
30 CNA 0.521739 0.959459
31 NDP 0.514493 0.922078
32 PO4 PO4 A A A A PO4 0.503937 0.930556
33 1DG 0.503401 0.922078
34 DG1 0.503401 0.922078
35 TXP 0.5 0.922078
36 NMN AMP PO4 0.492958 0.921053
37 XNP 0.492958 0.875
38 25L 0.492308 0.958904
39 25A 0.492063 0.972222
40 NMN 0.486726 0.888889
41 NGD 0.485714 0.935065
42 9JJ 0.481707 0.8875
43 2AM 0.477876 0.891892
44 ADP 0.458333 0.945205
45 PAP 0.451613 0.931507
46 A2D 0.445378 0.945205
47 AN2 0.442623 0.932432
48 7L1 0.441558 0.777778
49 ADP PO3 0.44 0.944444
50 SAP 0.44 0.896104
51 AGS 0.44 0.896104
52 M33 0.439024 0.906667
53 AR6 AR6 0.438849 0.945205
54 BA3 0.438017 0.945205
55 OAD 0.43609 0.92
56 ADP BMA 0.43609 0.92
57 DQV 0.435714 0.958904
58 HEJ 0.435484 0.945205
59 ATP 0.435484 0.945205
60 OOB 0.435115 0.958904
61 B4P 0.434426 0.945205
62 AP5 0.434426 0.945205
63 GAP 0.433071 0.92
64 0WD 0.432432 0.922078
65 2A5 0.432 0.87013
66 5FA 0.432 0.945205
67 AQP 0.432 0.945205
68 AT4 0.430894 0.907895
69 00A 0.428571 0.909091
70 DAL AMP 0.427481 0.932432
71 CA0 0.427419 0.92
72 ADP ALF 0.426357 0.871795
73 ALF ADP 0.426357 0.871795
74 9X8 0.425373 0.871795
75 ACP 0.424 0.92
76 NAJ PZO 0.423841 0.897436
77 9SN 0.423358 0.897436
78 ADP VO4 0.423077 0.932432
79 VO4 ADP 0.423077 0.932432
80 WAQ 0.422222 0.884615
81 V3L 0.421875 0.945205
82 ACQ 0.421875 0.92
83 ADQ 0.421053 0.92
84 AR6 0.420635 0.918919
85 APR 0.420635 0.918919
86 ATP A A A 0.42029 0.958333
87 CO7 0.419753 0.786517
88 3OD 0.419118 0.92
89 1ZZ 0.419118 0.841463
90 DLL 0.41791 0.958904
91 AD9 0.417323 0.92
92 NAX 0.416667 0.875
93 OVE 0.416667 0.857143
94 MYR AMP 0.416058 0.841463
95 AV2 0.415385 0.868421
96 A3P 0.414634 0.944444
97 NNR 0.414414 0.72973
98 OMR 0.413793 0.831325
99 6YZ 0.412214 0.92
100 ANP 0.410853 0.92
101 A1R 0.410448 0.860759
102 ABM 0.409836 0.893333
103 A 0.408333 0.944444
104 AMP 0.408333 0.944444
105 SON 0.408 0.933333
106 PPS 0.407692 0.829268
107 5AL 0.407692 0.932432
108 NAI 0.406897 0.909091
109 7D3 0.406504 0.857143
110 ADX 0.404762 0.829268
111 ATF 0.40458 0.907895
112 3UK 0.404412 0.945946
113 TYR AMP 0.404255 0.921053
114 AMP DBH 0.404255 0.894737
115 139 0.402685 0.875
116 50T 0.401575 0.906667
117 SRP 0.401515 0.907895
118 A A 0.40146 0.972222
119 B5V 0.40146 0.933333
120 A3R 0.4 0.860759
121 3AM 0.4 0.90411
122 B5M 0.4 0.921053
123 FA5 0.4 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Q7B; Ligand: NAP; Similar sites found with APoc: 486
This union binding pocket(no: 1) in the query (biounit: 1q7b.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1TE2 PGA None
2 2JE7 XMM None
3 4M37 SAH 1.22951
4 4M38 SAH 1.22951
5 5FTW SAH 1.22951
6 5L4L NAP 1.63934
7 5L4L 7OX 1.63934
8 5AHO TLA 1.63934
9 3FPF MTA 1.63934
10 3FPF TNA 1.63934
11 2VN9 GVD 1.63934
12 3LCC SAH 1.70213
13 3KIF GDL 1.88679
14 5Y1G NAD 2.04918
15 5Y1G AKB 2.04918
16 4ZRN NAD 2.04918
17 4ZRN UPG 2.04918
18 2JL1 NAP 2.04918
19 2YYY NAP 2.04918
20 2G5C NAD 2.04918
21 2JHP SAH 2.04918
22 5BW4 SAM 2.04918
23 1PL6 NAD 2.04918
24 6FDF SAH 2.04918
25 3HVJ 705 2.26244
26 4XUC 43G 2.29358
27 4XUC SAM 2.29358
28 2YY7 NAD 2.45902
29 5Z75 NAD 2.45902
30 2UYQ SAM 2.45902
31 6F5W KG1 2.45902
32 3UOY FAD 2.45902
33 3UOY NAP 2.45902
34 2BMB PMM 2.45902
35 3H8V ATP 2.45902
36 2VDV SAM 2.45902
37 5NLM IOS 2.45902
38 1RJD SAM 2.45902
39 4DPL NAP 2.45902
40 4NEC SAH 2.45902
41 5ZYN FAD 2.45902
42 5N53 8NB 2.5641
43 2GZ3 NAP 2.86885
44 1UXG NAD 2.86885
45 1UXG FUM 2.86885
46 6D6Y SAH 2.86885
47 5MPT SAH 2.86885
48 1R6D NAD 2.86885
49 4E13 NAD 2.86885
50 6C4T NA7 2.86885
51 1I2B NAD 2.86885
52 1I2B UPG 2.86885
53 1I2B USQ 2.86885
54 1R6D DAU 2.86885
55 1HDG NAD 2.86885
56 1F8G NAD 2.86885
57 1U1I NAD 2.86885
58 1E5Q NDP 3.27869
59 4C4A SAH 3.27869
60 1CF2 NAP 3.27869
61 3WQQ NDP 3.27869
62 3WQQ IB3 3.27869
63 4KP7 NAP 3.27869
64 4KP7 1UQ 3.27869
65 5WJ6 B4A 3.27869
66 5N9X THR 3.27869
67 1UWK NAD 3.27869
68 1UWK URO 3.27869
69 1LLU NAD 3.27869
70 4LWP SAH 3.27869
71 3VPD CIT 3.27869
72 4FZV SAM 3.27869
73 1WP4 NDP 3.27869
74 2PHX MAN MAN 3.27869
75 2CVZ NDP 3.27869
76 5XVH NAP 3.27869
77 1LDN NAD 3.27869
78 2PWY SAH 3.27869
79 3OA2 NAD 3.27869
80 1UKG MMA 3.27869
81 1YQZ FAD 3.42466
82 1Z45 NAD 3.68852
83 2EXX NAP 3.68852
84 3SUC ATP 3.68852
85 1PZG A3D 3.68852
86 4KOA NDP 3.68852
87 5XNC MTA 3.68852
88 1VKO NAD 3.68852
89 1RM0 D6P 3.68852
90 3B1F NAD 3.68852
91 1TI7 NAP 3.68852
92 1RM0 NAI 3.68852
93 1YS4 NAP 3.68852
94 5JGL SAM 3.68852
95 5YJI SAH 3.68852
96 5YJI 8WO 3.68852
97 3A06 FOM 3.68852
98 3A06 NDP 3.68852
99 1TZD ADP 3.68852
100 2VUT NAD 3.68852
101 2GCG NDP 3.68852
102 2WK1 SAH 3.68852
103 4Z0H NAD 3.68852
104 4J36 FAD 3.68852
105 4XB2 NDP 4.09836
106 1A5Z NAD 4.09836
107 4XB2 HSE 4.09836
108 1CER NAD 4.09836
109 3L4S 3PG 4.09836
110 5ERG SAM 4.09836
111 2F1K NAP 4.09836
112 5X9D 80F 4.09836
113 1GAD NAD 4.09836
114 1ZGA SAH 4.09836
115 1XCL SAH 4.09836
116 3H9E NAD 4.09836
117 5XWC 2IT 4.09836
118 5XWC 8GL 4.09836
119 5XWC NAP 4.09836
120 3L4S NAD 4.09836
121 2VYN NAD 4.09836
122 1DSS NAD 4.09836
123 3V1Y NAD 4.09836
124 1GQ2 NAP 4.09836
125 2HJR APR 4.26829
126 6BWL NAD 4.5082
127 3WMX NAD 4.5082
128 1ORR NAD 4.5082
129 3O7W SAM 4.5082
130 5YJF SAH 4.5082
131 1Q0H FOM 4.5082
132 1Q0H NDP 4.5082
133 5E9W SAH 4.5082
134 3X0D SAH 4.5082
135 4BWL MN9 4.5082
136 1GUZ NAD 4.5082
137 2WPB ZZI 4.5082
138 3A4T SFG 4.5082
139 1H9A NAP 4.5082
140 5YJF 8WO 4.5082
141 5E8J SAH 4.5082
142 1EZ4 NAD 4.5082
143 2XVM SAH 4.52261
144 5CIC 51R 4.62963
145 1EK6 NAI 4.91803
146 1EK6 UPG 4.91803
147 5NUF NAD 4.91803
148 2A14 SAH 4.91803
149 5MB4 NAG 4.91803
150 5T9E NAP 4.91803
151 3OJO NAD 4.91803
152 5NUE NAD 4.91803
153 4OOE FOM 4.9505
154 4OOE NDP 4.9505
155 2DTJ THR 5.05618
156 4IF4 BEF 5.28846
157 5MLR NAP 5.32787
158 5MLR GRQ 5.32787
159 2V6G NAP 5.32787
160 1EQ2 NAP 5.32787
161 2HK9 ATR 5.32787
162 3EVG SAH 5.32787
163 3L6R MLI 5.32787
164 1MUU NAD 5.32787
165 5KKA 6V0 5.32787
166 1MV8 NAD 5.32787
167 5YF1 SFG 5.32787
168 5W7M SAH 5.32787
169 3LST SAH 5.32787
170 5UR0 NAD 5.32787
171 1C3X 8IG 5.32787
172 1HYH NAD 5.32787
173 2P41 SAH 5.32787
174 2VTD LKM 5.32787
175 1SC6 NAD 5.32787
176 3CGD COA 5.32787
177 2C7G ODP 5.32787
178 2BKA NDP 5.3719
179 4PLT OXM 5.43807
180 4PLT NAI 5.43807
181 3G2O SAM 5.68562
182 1VM6 NAD 5.70175
183 4TQG NDP 5.7377
184 1BXK NAD 5.7377
185 1KEW NAD 5.7377
186 1KEW TYD 5.7377
187 5EIN NAP 5.7377
188 5A1T NAI 5.7377
189 5ZI2 NAD 5.7377
190 5ZI2 ADP 5.7377
191 4TQK NAG 5.7377
192 4OM8 NAD 5.7377
193 1LDM NAD 5.7377
194 5A1T OXM 5.7377
195 5TC4 NAD 5.7377
196 2O66 FLC 5.92593
197 5MSO NAP 6.14754
198 3KO8 NAD 6.14754
199 4ZVV NAD 6.14754
200 1HYE NAP 6.14754
201 1KYZ SAH 6.14754
202 4B4U NAP 6.14754
203 2Q1S NAI 6.14754
204 5MDH NAD 6.14754
205 4ZVV GN0 6.14754
206 1FP2 SAH 6.14754
207 4MDH NAD 6.14754
208 4RDH AMP 6.14754
209 2WPF FAD 6.14754
210 2PV7 NAD 6.14754
211 9LDB NAD 6.14754
212 6C5B SAH 6.14754
213 9LDT NAD 6.14754
214 1FEC FAD 6.14754
215 2WPF WPF 6.14754
216 2FKA BEF 6.20155
217 2OOR NAD 6.32184
218 6FBZ MGP 6.5
219 2Q1W NAD 6.55738
220 6EL3 NAP 6.55738
221 1GY8 NAD 6.55738
222 3ABI NAD 6.55738
223 1GV0 NAD 6.55738
224 5JAQ NAI 6.55738
225 1BW9 NAD 6.55738
226 1BZL FAD 6.55738
227 1BZL GCG 6.55738
228 1P31 EPU 6.55738
229 5JY6 NAD 6.55738
230 4GKV NAD 6.55738
231 1V59 FAD 6.55738
232 1BXG NAD 6.55738
233 1EJ0 SAM 6.66667
234 2GN4 NDP 6.96721
235 2GN4 UD1 6.96721
236 1RKX NAD 6.96721
237 3LU1 NAD 6.96721
238 6DNT NAD 6.96721
239 1WVG APR 6.96721
240 1V6A TRE 6.96721
241 3GU3 SAH 6.96721
242 4PLG NAI 6.96721
243 4PLG OXM 6.96721
244 1T26 NAI 6.96721
245 1T26 GBD 6.96721
246 5UAV NDP 6.96721
247 2A92 NAI 6.96721
248 5UAV TFB 6.96721
249 3O9Z AKG 6.96721
250 5GUD 2IT 6.96721
251 5GUD NDP 6.96721
252 3O9Z NAD 6.96721
253 1RJW ETF 6.96721
254 1HDR NAD 7.37705
255 5ME4 HP4 7.37705
256 3L9W AMP 7.37705
257 2XYQ SAH 7.37705
258 3VYW SAM 7.37705
259 3CMC NAD 7.37705
260 1EBF NAD 7.37705
261 4N49 SAM 7.37705
262 6ECU SAH 7.37705
263 1M2W NAD 7.37705
264 6ECW SAH 7.37705
265 3A27 SAM 7.37705
266 4U7W NDP 7.78689
267 4R1S NAP 7.78689
268 4LHD GLY 7.78689
269 1FP1 SAH 7.78689
270 2I3G NAP 7.78689
271 5DOZ NDP 7.78689
272 4C3Y FAD 7.78689
273 5XLX SAH 7.78689
274 2DT5 NAD 8.05687
275 3VPH OXM 8.06452
276 1EX7 5GP 8.06452
277 3VPH NAD 8.06452
278 4DVE BTN 8.08081
279 1SB8 UD2 8.19672
280 1SB8 NAD 8.19672
281 1OC2 NAD 8.19672
282 1OC2 TDX 8.19672
283 1Y1P NMN AMP PO4 8.19672
284 1UDB NAD 8.19672
285 1UDB UFG 8.19672
286 1LTH NAD 8.19672
287 2OBF SAH 8.19672
288 1VMK GUN 8.19672
289 2OBF F83 8.19672
290 4FBL SPD 8.19672
291 3CIF G3H 8.19672
292 2CVQ NDP 8.19672
293 3CIF NAD 8.19672
294 6CEP OXM 8.19672
295 6CEP NAD 8.19672
296 1SQF SAM 8.19672
297 5ZEC NAP 8.60656
298 1V35 NAI 8.60656
299 4XZ3 COA 8.60656
300 5THY SAH 8.60656
301 2WA2 SAM 8.60656
302 5THZ SAH 8.60656
303 4AP3 NAP 8.60656
304 4AP3 FAD 8.60656
305 4XYM COA 8.60656
306 1SAY PYR 8.60656
307 5IN4 6CK 9.01639
308 5IN4 GDP 9.01639
309 5IN4 NAP 9.01639
310 1E7S NAP 9.01639
311 5LD5 NAD 9.01639
312 2Z9I GLY ALA THR VAL 9.01639
313 6AA8 NAD 9.01639
314 1UP7 NAD 9.01639
315 5KOK SAH 9.01639
316 2RAB NAD 9.01639
317 2RAB FAD 9.01639
318 5MW4 5JU 9.01639
319 2AG8 NAP 9.12547
320 1RPN NDP 9.42623
321 5T9F TYR 9.42623
322 5T9F NAP 9.42623
323 3MB5 SAM 9.42623
324 1YKJ FAD 9.42623
325 1YKJ PHB 9.42623
326 3GCZ SAM 9.42623
327 5Y77 FAD 9.42623
328 2VT3 ATP 9.76744
329 2C5A NAD 9.83607
330 2C5A GDC 9.83607
331 3B20 NAD 9.83607
332 2D2I NAP 9.83607
333 3B1J NAD 9.83607
334 1O6Z NAD 9.83607
335 6BII NAP 9.83607
336 5OCM NAP 10.2459
337 5K4W NAI 10.6557
338 5K4W THR 10.6557
339 4GLL NAD 11.0656
340 1ZK7 FAD 11.0656
341 6ER9 FAD 11.0656
342 6ER9 NAP 11.0656
343 3G89 SAM 11.245
344 5F5N NAD 11.4187
345 1B8U NAD 11.4754
346 5F8F SFG 11.4754
347 1B8U OAA 11.4754
348 2Q46 NAP 11.8852
349 5YEC ATP 11.8852
350 4XQC NAD 11.8852
351 5TVI O8N 11.9565
352 5OOH NAP 12.1359
353 5OOH 9ZZ 12.1359
354 4YCA NDP 12.2951
355 5OJL TXP 12.4161
356 1VL0 NAI 12.7049
357 1NVM NAD 12.7049
358 6C4N NAP 12.7049
359 2VHW NAI 12.7049
360 6F5Z SAH 13.1148
361 2ZFU SAH 13.4884
362 4G5H NAP 13.5246
363 4G5H UD7 13.5246
364 1ZQ9 SAM 13.5246
365 1WDK NAD 13.5246
366 5DF1 NAP 13.9344
367 5DF1 58X 13.9344
368 1SOW NAD 13.9344
369 3I6I NDP 14.3443
370 2HMT NAI 14.5833
371 5C2N NAG 14.5833
372 4PIV NDP 14.7541
373 5L95 AMP 15
374 3A4V PYR 15.1639
375 3A4V NAD 15.1639
376 2PK3 A2R 15.1639
377 3GGO ENO 15.1639
378 3GGO NAI 15.1639
379 5BJX NAD 15.5738
380 5BJX UDP 15.5738
381 1N7G NDP 16.3934
382 1N7G GDR 16.3934
383 4PVD NDP 16.8033
384 2X6T NAP 16.8033
385 5W7R SAH 16.8033
386 4EUE NAI 17.2131
387 4ZGS NAD 17.623
388 3FSY SCA 18.0328
389 5ZZ6 ADP 18.75
390 2F5Z FAD 18.75
391 5ZZ6 NAD 18.75
392 5WP5 SAH 18.8525
393 3ORF NAD 19.2623
394 2C29 NAP 19.2623
395 2C29 DQH 19.2623
396 1X14 NAD 19.2623
397 4HXY NDP 19.4064
398 5WP4 SAH 19.6721
399 2B4R NAD 19.6721
400 2B4R AES 19.6721
401 1YB5 NAP 20.4918
402 6A0S HSE 20.4918
403 6A0S NDP 20.4918
404 2PZM NAD 21.3115
405 2PZM UDP 21.3115
406 5CAE SIN 21.4058
407 5CAE COA 21.4058
408 1VLT ASP 22.6027
409 3O26 NDP 22.9508
410 2GAG FOA 25.2525
411 3QV1 NAD 28.0488
412 2IZ1 ATR 28.6885
413 3RFV NAI 29.5082
414 3RFV 15L 29.5082
415 3TN7 NJP 30.7377
416 1D7O NAD 33.1967
417 1D7O TCL 33.1967
418 5L4S 6KX 34.2767
419 5L4S NAP 34.2767
420 3RJ5 NAD 34.4262
421 1NNU NAD 35
422 1NNU TCT 35
423 4YAG NAI 35.6557
424 4Q9N NAI 35.6557
425 1LSS NAD 36.4286
426 1OAA OAA 37.2951
427 5GT9 NAP 37.7049
428 5WQP NAP 38.0342
429 5WQP NCA 38.0342
430 4K26 NDP 38.5246
431 4K26 SFF 38.5246
432 1A27 NAP 38.5246
433 3HB5 NAP 38.5246
434 1SNY NAP 38.9344
435 3CH6 NAP 38.9344
436 3CH6 311 38.9344
437 1N5D NDP 39.7541
438 2BD0 NAP 40.1639
439 1WMA NDP 40.1639
440 1WMA AB3 40.1639
441 4YAC NAI 40.5738
442 1GZ6 NAI 40.9836
443 4Y9D NAI 40.9836
444 3WXB NDP 41.3934
445 1ZBQ NAD 41.3934
446 4O0L NDP 41.8182
447 2PD4 NAD 42.2131
448 2PD4 DCN 42.2131
449 1XSE NDP 42.623
450 5L53 NAP 43.4426
451 5O98 NAP 43.4426
452 2DKN NAI 44.6721
453 4D42 W0I 44.6721
454 4D42 NAP 44.6721
455 4OHU NAD 44.6721
456 4OHU 2TK 44.6721
457 1FK8 NAD 45.4918
458 2WYV NAD 45.4918
459 3OJF NDP 45.9016
460 3OJF IMJ 45.9016
461 4J7U YTZ 46.3115
462 4J7U NAP 46.3115
463 5I7S NAD 46.3115
464 5I7S E9P 46.3115
465 1Z6Z NAP 46.3115
466 4ZU3 4SD 46.696
467 5O42 NAD 46.7213
468 5O42 BGC 46.7213
469 5O42 9JW 46.7213
470 1QG6 NAD 46.7213
471 1QG6 TCL 46.7213
472 1XG5 NAP 47.1311
473 5CG1 NAD BBN 47.1311
474 3OIG NAD 47.541
475 4O1M NAD 47.541
476 1UAY ADN 47.9339
477 1ZK4 NAP 47.9508
478 1ZK4 AC0 47.9508
479 3GEG NAD 47.9508
480 3D3W NAP 47.9508
481 1H5Q NAP 48.3607
482 2JAH NDP 49.1803
483 4OSP NAP 49.5902
484 3H4V DVP 49.5902
485 3H4V NAP 49.5902
486 4OSP 2V4 49.5902
487 4FC7 NAP 50
488 4FC7 COA 50
489 1ZEM NAD 50
490 3ZV6 NAD 50
491 3ZV6 4HB 50
492 3AFN NAP 50
493 2AE2 NAP 50
494 2AE2 PTO 50
495 5G4L NDP 50
Pocket No.: 2; Query (leader) PDB : 1Q7B; Ligand: NAP; Similar sites found with APoc: 22
This union binding pocket(no: 2) in the query (biounit: 1q7b.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 6BOC EU7 None
2 5L1O 7PF 2.04918
3 1PN0 IPH 2.45902
4 1PN0 FAD 2.45902
5 3CBC DBS 2.52525
6 1L7E NAI 2.86885
7 2GSR GTS 2.89855
8 1Q8Q MAN MMA 3.27869
9 1Q8S MAN MMA 3.27869
10 5MZI FAD 4.5082
11 5MZI FYK 4.5082
12 3C0O M6P 5.7377
13 5YSQ INS 6.55738
14 3NJ4 NAD 9.01639
15 3NJ4 AFX 9.01639
16 4CJX NAP 9.09091
17 5CQG 55C 9.42623
18 5U8U FAD 9.42623
19 2ALG DAO 10.8696
20 4JDR FAD 11.8852
21 5W7K SAH 14.3443
22 4CNK MEU 15.1639
Pocket No.: 3; Query (leader) PDB : 1Q7B; Ligand: NAP; Similar sites found with APoc: 16
This union binding pocket(no: 3) in the query (biounit: 1q7b.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 5IFK HPA None
2 4BCQ TJF 2.45902
3 1FNZ A2G 2.53165
4 1SW1 PBE 2.86885
5 3RGG AIR 4.40252
6 3R6K FUC GAL GLA 4.91803
7 3AB4 THR 5.05618
8 5T96 79J 5.32787
9 1PTR PRB 6
10 5ZMY TAR 6.14754
11 3WV8 ATP 6.88073
12 5ULP KB1 8.19672
13 1HSR BHO 9.01639
14 3EGI ADP 9.2233
15 4LO6 SIA GAL 10.5263
16 3TKY SAH 11.0656
Pocket No.: 4; Query (leader) PDB : 1Q7B; Ligand: NAP; Similar sites found with APoc: 16
This union binding pocket(no: 4) in the query (biounit: 1q7b.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5IGL BMF None
2 6H8S FSZ 2.45902
3 4UP4 NAG 2.86885
4 4UP4 NDG 2.86885
5 3LGS ADE 3.27869
6 4RQL SNE 3.68852
7 1M32 PLP 3.68852
8 5DNK SAH 4.09836
9 2CDU ADP 4.5082
10 3EW2 BTN 6.66667
11 1LJ8 NAD 7.37705
12 1OBB NAD 7.37705
13 1QVJ RP5 7.78689
14 2E2P ADP 8.19672
15 2BS5 BGC GAL FUC 10
16 3QDX CBS 13.986
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