Receptor
PDB id Resolution Class Description Source Keywords
2VEZ 1.45 Å EC: 2.3.1.4 AFGNA1 CRYSTAL STRUCTURE COMPLEXED WITH ACETYL-COA AND GLUCO GIVES NEW INSIGHTS INTO CATALYSIS ASPERGILLUS FUMIGATUS TRANSFERASE ACYLTRANSFERASE GLUCOSAMINE-6-PHOSPHATE N- ACETYLTRANSFERASE (GNA1) UDP-GLCNAC BIOSYNTHETIC PATHWAY
Ref.: GLUCOSE-6-PHOSPHATE AS A PROBE FOR THE GLUCOSAMINE-6-PHOSPHATE N-ACETYLTRANSFERASE MICHAELIS COMPLEX. FEBS LETT. V. 581 5597 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:1191;
Valid;
none;
submit data
809.571 C23 H38 N7 O17 P3 S CC(=O...
G6P A:1192;
Valid;
none;
Ki = 2.6 mM
260.136 C6 H13 O9 P C([C@...
PO4 A:1193;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VEZ 1.45 Å EC: 2.3.1.4 AFGNA1 CRYSTAL STRUCTURE COMPLEXED WITH ACETYL-COA AND GLUCO GIVES NEW INSIGHTS INTO CATALYSIS ASPERGILLUS FUMIGATUS TRANSFERASE ACYLTRANSFERASE GLUCOSAMINE-6-PHOSPHATE N- ACETYLTRANSFERASE (GNA1) UDP-GLCNAC BIOSYNTHETIC PATHWAY
Ref.: GLUCOSE-6-PHOSPHATE AS A PROBE FOR THE GLUCOSAMINE-6-PHOSPHATE N-ACETYLTRANSFERASE MICHAELIS COMPLEX. FEBS LETT. V. 581 5597 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2VXK - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 2VEZ Ki = 2.6 mM G6P C6 H13 O9 P C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2VXK - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 2VEZ Ki = 2.6 mM G6P C6 H13 O9 P C([C@@H]1[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3CXQ - GLP C6 H14 N O8 P C([C@@H]1[....
2 4AG9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 2VXK - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 2VEZ Ki = 2.6 mM G6P C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACO; Similar ligands found: 170
No: Ligand ECFP6 Tc MDL keys Tc
1 ACO 1 1
2 3KK 0.9 0.988636
3 COS 0.898305 0.944444
4 CAO 0.898305 0.934066
5 2MC 0.893443 0.945652
6 OXK 0.892562 0.966292
7 MC4 0.887097 0.935484
8 1VU 0.885246 0.977528
9 CO6 0.885246 0.988636
10 CAA 0.879032 0.977273
11 SOP 0.877049 0.966292
12 IVC 0.870968 0.977273
13 1HE 0.870968 0.966667
14 MLC 0.870968 0.966292
15 BCO 0.870968 0.966292
16 3HC 0.870968 0.977273
17 FYN 0.868852 0.965909
18 COO 0.864 0.966292
19 MCA 0.864 0.977528
20 COK 0.861789 0.944444
21 0T1 0.857143 0.94382
22 SCA 0.857143 0.966292
23 COA 0.857143 0.965909
24 DCA 0.855932 0.94382
25 CMC 0.854839 0.944444
26 30N 0.85124 0.885417
27 HGG 0.850394 0.966292
28 IRC 0.850394 0.977273
29 BYC 0.850394 0.966292
30 COW 0.850394 0.955556
31 1GZ 0.850394 0.955556
32 BCA 0.84375 0.955556
33 FAQ 0.84375 0.966292
34 2CP 0.84252 0.955556
35 A1S 0.84127 0.966292
36 ETB 0.840336 0.932584
37 GRA 0.837209 0.966292
38 HXC 0.837209 0.988764
39 AMX 0.836066 0.954545
40 TGC 0.830769 0.955556
41 SCO 0.829268 0.94382
42 CMX 0.829268 0.94382
43 1CZ 0.824427 0.955556
44 CO8 0.824427 0.988764
45 2NE 0.824427 0.945055
46 FAM 0.822581 0.923077
47 FCX 0.822581 0.913043
48 2KQ 0.821705 0.988764
49 COF 0.821705 0.923913
50 3CP 0.821705 0.944444
51 UCC 0.818182 0.988764
52 ST9 0.818182 0.988764
53 DCC 0.818182 0.988764
54 MFK 0.818182 0.988764
55 5F9 0.818182 0.988764
56 MYA 0.818182 0.988764
57 HAX 0.816 0.923077
58 4CA 0.815385 0.934066
59 WCA 0.80597 0.945055
60 CS8 0.80597 0.977778
61 SCD 0.804688 0.94382
62 CA6 0.80315 0.896907
63 MCD 0.80315 0.966292
64 4KX 0.8 0.934783
65 HDC 0.8 0.988764
66 CIC 0.796992 0.944444
67 NMX 0.796875 0.875
68 MRS 0.794118 0.988764
69 MRR 0.794118 0.988764
70 4CO 0.791045 0.934066
71 0FQ 0.791045 0.944444
72 CAJ 0.790698 0.944444
73 YNC 0.788321 0.955556
74 DAK 0.788321 0.934783
75 01A 0.785185 0.904255
76 0ET 0.785185 0.966667
77 8Z2 0.782609 0.977778
78 HFQ 0.781022 0.923913
79 1CV 0.779412 0.966292
80 YE1 0.778626 0.933333
81 NHM 0.773723 0.966667
82 NHW 0.773723 0.966667
83 UOQ 0.773723 0.966667
84 CA8 0.766917 0.877551
85 1HA 0.760563 0.945055
86 NHQ 0.746479 0.955056
87 S0N 0.744526 0.923077
88 CCQ 0.744526 0.945652
89 01K 0.743056 0.966292
90 COT 0.737931 0.944444
91 CA3 0.727891 0.944444
92 UCA 0.721854 0.988764
93 CO7 0.713235 0.966292
94 CA5 0.703947 0.904255
95 93P 0.699346 0.934066
96 COD 0.692913 0.954545
97 93M 0.666667 0.934066
98 4BN 0.656627 0.946237
99 5TW 0.656627 0.946237
100 OXT 0.634731 0.946237
101 HMG 0.62585 0.933333
102 PLM COA 0.61745 0.955556
103 COA MYR 0.61745 0.955556
104 COA PLM 0.61745 0.955556
105 JBT 0.609195 0.926316
106 BSJ 0.594118 0.913979
107 PAP 0.577586 0.784091
108 PPS 0.53719 0.729167
109 191 0.532895 0.877551
110 RFC 0.53125 0.966667
111 SFC 0.53125 0.966667
112 A3P 0.525862 0.772727
113 ACE SER ASP ALY THR NH2 COA 0.505435 0.923077
114 0WD 0.503497 0.763441
115 PTJ 0.462687 0.842697
116 3AM 0.461538 0.761364
117 3OD 0.451852 0.797753
118 A22 0.450382 0.786517
119 PUA 0.447368 0.793478
120 A2D 0.446281 0.775281
121 PAJ 0.443609 0.853933
122 ATR 0.440945 0.772727
123 AGS 0.440945 0.8
124 SAP 0.440945 0.8
125 OAD 0.437037 0.797753
126 ADP 0.435484 0.795455
127 A2R 0.431818 0.786517
128 BA3 0.427419 0.775281
129 NA7 0.426471 0.829545
130 ATP 0.425197 0.795455
131 AP5 0.424 0.775281
132 B4P 0.424 0.775281
133 ADQ 0.422222 0.777778
134 5FA 0.421875 0.795455
135 AR6 0.421875 0.775281
136 APR 0.421875 0.775281
137 AQP 0.421875 0.795455
138 2A5 0.421875 0.818182
139 48N 0.42069 0.802198
140 AN2 0.420635 0.786517
141 FYA 0.42029 0.786517
142 M33 0.417323 0.786517
143 SRP 0.413534 0.808989
144 ANP 0.412214 0.777778
145 YLB 0.412162 0.877778
146 FA5 0.411348 0.788889
147 YLP 0.410959 0.877778
148 ME8 0.410072 0.835165
149 APU 0.409396 0.76087
150 5AL 0.409091 0.786517
151 7D3 0.408 0.766667
152 NJP 0.407895 0.78022
153 AD9 0.407692 0.777778
154 25L 0.407143 0.786517
155 7D4 0.40625 0.766667
156 CA0 0.40625 0.777778
157 ATF 0.406015 0.769231
158 A A A 0.405797 0.786517
159 A2P 0.404762 0.761364
160 8QN 0.404412 0.786517
161 LAQ 0.40411 0.815217
162 NDP 0.403974 0.763441
163 ACP 0.403101 0.797753
164 ACQ 0.401515 0.797753
165 YAP 0.401408 0.78022
166 ATP A A A 0.401408 0.744444
167 1ZZ 0.4 0.855556
168 PAX 0.4 0.768421
169 TXA 0.4 0.788889
170 NB8 0.4 0.782609
Ligand no: 2; Ligand: G6P; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 M6P 1 1
2 BG6 1 1
3 G6P 1 1
4 M6D 1 1
5 BGP 1 1
6 A6P 1 1
7 RP5 0.8 0.902439
8 HSX 0.8 0.902439
9 ABF 0.8 0.902439
10 AHG 0.621622 0.795455
11 GLP 0.590909 0.829787
12 4R1 0.590909 0.829787
13 RF5 0.571429 0.8
14 50A 0.571429 0.8
15 4QY 0.55102 0.75
16 BMX 0.55102 0.75
17 16G 0.55102 0.75
18 GRF 0.547619 0.692308
19 NNG 0.530612 0.75
20 1FT 0.517857 0.847826
21 FDQ 0.511111 0.777778
22 G16 0.5 0.951219
23 PRP 0.5 0.880952
24 T6P 0.470588 0.906977
25 D6G 0.468085 0.951219
26 P3M 0.466667 0.906977
27 GLA 0.461538 0.675
28 GIV 0.461538 0.675
29 WOO 0.461538 0.675
30 GLC 0.461538 0.675
31 ALL 0.461538 0.675
32 BGC 0.461538 0.675
33 GXL 0.461538 0.675
34 GAL 0.461538 0.675
35 BMA 0.461538 0.675
36 MAN 0.461538 0.675
37 GLA BGC 0.45098 0.674419
38 BGC GLA 0.45098 0.674419
39 GLA BMA 0.45098 0.674419
40 LAK 0.45098 0.674419
41 GAL GAL 0.45098 0.674419
42 BMA GLA 0.45098 0.674419
43 MAN BMA 0.45098 0.674419
44 GLA GLC 0.45098 0.674419
45 MLB 0.45098 0.674419
46 N 0.444444 0.777778
47 PPC 0.442308 0.822222
48 GLC GLC GLC 0.433962 0.674419
49 MAN MAN MAN 0.433962 0.674419
50 GLC GLC GLC GLC BGC 0.433962 0.674419
51 GLC GLC GLC GLC GLC BGC 0.433962 0.674419
52 GLC GLC 0.423077 0.707317
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VEZ; Ligand: G6P; Similar sites found: 222
This union binding pocket(no: 1) in the query (biounit: 2vez.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BTN I3P 0.002414 0.50242 None
2 1ULE GLA GAL NAG 0.001486 0.48079 None
3 2E1A MSE 0.00116 0.4514 None
4 1UO5 PIH 0.01767 0.44916 None
5 2QLX RM4 0.008546 0.43608 None
6 1I2L DCS 0.003425 0.40214 None
7 1JI0 ATP 0.01627 0.4249 1.57895
8 1ZJ6 G3D 0.008188 0.4068 1.60428
9 2B4B COA 0.000002751 0.56326 1.75439
10 2B4D COA 0.000007134 0.4541 1.75439
11 3UEC ALA ARG TPO LYS 0.0002904 0.50703 2.10526
12 1G6H ADP 0.005762 0.45576 2.10526
13 3MAG 3MA 0.01911 0.4389 2.10526
14 3LRE ADP 0.01356 0.4306 2.10526
15 3F81 STT 0.0001013 0.55041 2.18579
16 2JGS BTN 0.02522 0.40097 2.30769
17 3F8C HT1 0.02876 0.40063 2.38095
18 3TE4 ACO 0.00000005465 0.62384 2.63158
19 1G8S MET 0.00006225 0.5297 2.63158
20 2AWN ADP 0.002828 0.47203 2.63158
21 1WDA BAG 0.004197 0.42777 2.63158
22 3CZ7 ACO 0.0004155 0.4175 2.63158
23 2ZFN ACO 0.00006538 0.48401 2.82609
24 4COQ SAN 0.003628 0.44745 2.83401
25 2ZW5 COA 0.00001504 0.45634 3.15789
26 1T10 F6P 0.003399 0.44263 3.15789
27 1Q11 TYE 0.002595 0.44206 3.15789
28 1I0Z OXM 0.02113 0.42928 3.15789
29 2Z9V PXM 0.006124 0.42577 3.15789
30 1XIU REA 0.003642 0.40847 3.15789
31 2Y7P SAL 0.02231 0.40115 3.15789
32 4MPO AMP 0.02843 0.40882 3.26797
33 3S9K CIT 0.004654 0.48517 3.38983
34 3RF4 FUN 0.007815 0.42114 3.44828
35 3BY8 MLT 0.003023 0.45791 3.52113
36 3SXN COA 0.000002514 0.5589 3.68421
37 4B5P ACO 0.000003895 0.49793 3.68421
38 3TO7 COA 0.00001078 0.47172 3.68421
39 1PEA ACM 0.003445 0.46247 3.68421
40 3I0O ADP 0.0008227 0.45198 3.68421
41 3O2K QRP 0.001809 0.43794 3.68421
42 3LTW HLZ 0.01418 0.41977 3.68421
43 4IXW IXW 0.006873 0.4187 3.68421
44 2C5S AMP 0.008581 0.41461 3.68421
45 3I0O SMI 0.01522 0.41321 3.68421
46 2BJK NAD 0.001991 0.40529 3.68421
47 3F3E LEU 0.0006823 0.40498 3.68421
48 3O2K DST 0.02248 0.401 3.68421
49 4K30 NLG 0.004477 0.43172 3.75
50 1V7R CIT 0.02754 0.43016 3.76344
51 3D2M COA 0.0000005948 0.54636 4.21053
52 2FT0 ACO 0.00001995 0.54277 4.21053
53 1MZV AMP 0.002896 0.42955 4.21053
54 1SQ5 PAU 0.007829 0.42111 4.21053
55 4KCT PYR 0.00817 0.41551 4.21053
56 4KCT FDP 0.00585 0.41263 4.21053
57 2NCD ADP 0.03332 0.41057 4.21053
58 3NFZ 3NF 0.009382 0.40443 4.21053
59 4C2C ALA ALA ALA 0.03281 0.40425 4.21053
60 3PLN U5P 0.02253 0.40096 4.21053
61 2PR5 FMN 0.0005429 0.43432 4.54545
62 2Q8H TF4 0.007546 0.45274 4.73684
63 1JLX GAL A2G MBN 0.01475 0.42906 4.73684
64 3NHB ADP 0.01713 0.42672 4.73684
65 4OB6 S2T 0.001707 0.42479 4.73684
66 2YCD GTB 0.003929 0.41953 4.73684
67 4CCO OGA 0.01164 0.41357 4.73684
68 1TV5 N8E 0.03362 0.41104 4.73684
69 2O2C G6Q 0.005495 0.40563 4.73684
70 1YRX FMN 0.002278 0.4244 4.95868
71 4QC6 30N 0.00008829 0.48725 5.02793
72 3KMT SAH 0.001284 0.43405 5.04202
73 2WPW ACO 0.0000002002 0.63688 5.26316
74 2WPX ACO 0.0000001218 0.49659 5.26316
75 2VZZ SCA 0.00002761 0.4826 5.26316
76 1JJ7 ADP 0.004572 0.46028 5.26316
77 2CBZ ATP 0.005809 0.45291 5.26316
78 1DBT U5P 0.001366 0.42 5.26316
79 2Q09 DI6 0.007658 0.41671 5.26316
80 3SHR CMP 0.00662 0.4148 5.26316
81 2C2A ADP 0.003048 0.41131 5.26316
82 3RC3 ANP 0.03293 0.4045 5.26316
83 4KOT CE3 0.000000165 0.576 5.55556
84 3I51 45C 0.009636 0.40397 5.55556
85 3F8K COA 0.000002378 0.48694 5.625
86 1MXI SAH 0.003832 0.40397 5.625
87 1ZZ7 S0H 0.001005 0.46003 5.78947
88 1RZM PEP 0.00263 0.4418 5.78947
89 1XE7 GUN 0.01395 0.43875 5.78947
90 1RZM E4P 0.01456 0.42485 5.78947
91 3P2H NOO 0.008787 0.41465 5.78947
92 2F2U M77 0.00772 0.41205 5.78947
93 1B0U ATP 0.006162 0.40375 5.78947
94 1KYQ NAD 0.004216 0.40248 5.78947
95 1F3L SAH 0.002127 0.40234 5.78947
96 2JFV FLC 0.004183 0.44457 5.84192
97 3ZPG 5GP 0.002377 0.47896 6.31579
98 3PMA SCR 0.008084 0.4417 6.31579
99 3AB4 THR 0.03326 0.40427 6.31579
100 2IYG FMN 0.00122 0.43979 6.45161
101 1N71 COA 0.0000000265 0.6525 6.66667
102 3DGB MUC 0.0007509 0.44818 6.84211
103 2W58 ADP 0.01149 0.44003 6.84211
104 3CF6 SP1 0.001202 0.43054 6.84211
105 1V6A TRE 0.007911 0.42607 6.84211
106 2PP3 LGT 0.004915 0.41144 6.84211
107 4AG5 ADP 0.0326 0.41083 6.84211
108 1QZZ SAM 0.005122 0.41075 6.84211
109 1J78 OLA 0.03225 0.40712 6.84211
110 2EJU SAH 0.004663 0.40091 6.84211
111 2QCX PF1 0.0007944 0.47107 6.84411
112 1WGC SIA GAL BGC 0.01901 0.43902 7.01754
113 2WGC SIA GAL BGC 0.04628 0.42496 7.01754
114 4C2X NHW 0.0000008432 0.55173 7.36842
115 2IZ1 ATR 0.00296 0.45157 7.36842
116 1M5B BN1 0.0008292 0.42011 7.36842
117 4LHM AZZ 0.01316 0.41607 7.36842
118 3R96 AMP 0.00004076 0.48176 7.44681
119 4M5P MLA 0.01197 0.45004 7.86241
120 4M5P 23W 0.02453 0.41954 7.86241
121 2VBQ BSJ 0.0000003218 0.52276 7.87879
122 1Z41 FMN 0.001985 0.42233 7.89474
123 1Z44 FMN 0.003014 0.41968 7.89474
124 3B6C SDN 0.02185 0.41805 7.89474
125 2X7I CIT 0.025 0.4069 7.89474
126 4F4S EFO 0.01713 0.4062 7.89474
127 1BOB ACO 0.0000008253 0.56766 8.125
128 2FR6 URI 0.0005558 0.43396 8.21918
129 2FR6 CTN 0.001438 0.41919 8.21918
130 3QDT A2G GAL 0.004053 0.45893 8.39161
131 4H6U ACO 0.000003716 0.46818 8.42105
132 4M51 BEZ 0.002724 0.46759 8.42105
133 1EB9 HBA 0.001926 0.43188 8.42105
134 1P0H COA 0.000001463 0.56722 8.94737
135 1P0H ACO 0.000001548 0.56722 8.94737
136 2OG2 MLI 0.002209 0.44645 8.94737
137 3QV9 QV7 0.004058 0.43916 8.94737
138 3B9Q MLI 0.006596 0.43663 8.94737
139 1QDS PGA 0.00301 0.42887 8.94737
140 2IXB A2G 0.0001601 0.42477 8.94737
141 2IXB NAD 0.0001371 0.41688 8.94737
142 1LVL FAD 0.001418 0.40211 8.94737
143 2JBH 5GP 0.002025 0.44116 9.33333
144 4AVB ACO 0.0000006858 0.56521 9.47368
145 2ZWS PLM 0.003342 0.49055 9.47368
146 1XX4 BAM 0.01027 0.44573 9.47368
147 4PSW COA 0.00001623 0.42676 9.47368
148 1U5R ATP 0.001719 0.42468 9.47368
149 2XT3 ADP 0.02166 0.42069 9.47368
150 1W3R PYR 0.04131 0.40801 9.47368
151 4MTI 2DX 0.02092 0.42141 9.56522
152 3IA4 MTX 0.01877 0.40591 9.87654
153 1S7N COA 0.000005727 0.54918 9.89011
154 1T0S BML 0.0006472 0.49887 10
155 3B5J 12D 0.02252 0.41734 10
156 3K9U ACO 0.0000005234 0.42754 10.0629
157 2XD9 XD9 0.01433 0.40944 10.5263
158 1GXU 2HP 0.0009719 0.47004 10.989
159 1N9L FMN 0.001252 0.42135 11.0092
160 4C2Z MYA 0.000001185 0.47958 11.0526
161 1ME8 RVP 0.002629 0.41612 11.0526
162 4C2Z 646 0.000001987 0.40615 11.0526
163 1Y9Q MED 0.005946 0.43744 11.5789
164 3ZJ0 ACO 0.0000001702 0.53623 11.6505
165 1YOA FMN 0.009501 0.46461 11.9497
166 1YOA FAD 0.00009452 0.44719 11.9497
167 3BIY 01K 0.000302 0.41685 12.1053
168 2Q37 3AL 0.004042 0.43924 12.1547
169 1PUA COA 0.000003985 0.56235 12.2699
170 1QSN COA 0.000005186 0.55719 12.3457
171 1QSR ACO 0.00000009869 0.54499 12.3457
172 1Q2C COA 0.00004106 0.44093 12.3457
173 1Q2D COA 0.000008239 0.43734 12.3457
174 1QO0 BMD 0.004232 0.44433 12.6316
175 4E28 9MZ 0.004863 0.44152 12.6316
176 1F1V DHY 0.003406 0.43161 12.6316
177 3JQ3 ADP 0.004211 0.42287 12.6316
178 4E28 0MZ 0.02267 0.40534 12.6316
179 1Y75 NAG 0.00174 0.44395 12.7119
180 2ZPA ACO 0.0000000005388 0.59926 13.1579
181 1IYK MYA 0.00000227 0.51263 13.1579
182 4U9W COA 0.0000000002436 0.50776 13.1579
183 3NOJ PYR 0.01832 0.40719 13.1579
184 3T31 FAD 0.002051 0.4061 13.1579
185 3T31 DCQ 0.002299 0.4061 13.1579
186 3A2Y TS5 0.005563 0.40171 13.1579
187 2CNT COA 0.00000002051 0.56199 13.6842
188 1O9U ADZ 0.006345 0.45668 13.6842
189 4RJK PYR 0.009052 0.44139 13.6842
190 3P3N AKG 0.007703 0.43218 13.6842
191 1KTC NGA 0.004687 0.43085 13.6842
192 4KCF AKM 0.00112 0.41092 13.6842
193 3DER ALA LYS 0.002764 0.40539 13.6842
194 2V5E SCR 0.03137 0.42704 13.8614
195 2YNC YNC 0.000000774 0.54656 14.2105
196 1SS4 GSH 0.0004874 0.54967 15.0327
197 1SS4 CIT 0.002787 0.47838 15.0327
198 1Y42 TYR 0.004414 0.43199 15.2632
199 2Z1U ATP 0.004331 0.40954 15.2632
200 4Q0A 4OA 0.002859 0.40852 15.7895
201 4NSQ COA 0.0000004994 0.61044 16.3158
202 3EZ2 ADP 0.01621 0.42059 16.3158
203 1W7J ADP BEF 0.001722 0.42042 16.3158
204 2JDC CAO 0.000000003301 0.6392 17.1233
205 1IID NHM 0.00002308 0.49555 17.3684
206 2Q4V ACO 0.00000000448 0.64765 17.6471
207 4B9E FAH 0.004061 0.45171 17.8947
208 1CM0 COA 0.000000182 0.64745 18.4524
209 1M4I KAN 0.00001353 0.50027 18.7845
210 1QSM ACO 0.00000002708 0.61617 19.7368
211 4KVX ACO 0.00000002399 0.56872 19.8718
212 3KJQ B94 0.003916 0.41959 20
213 1GHE ACO 0.000000001109 0.59914 20.339
214 2EB5 OXL 0.007502 0.43272 21.0526
215 1KUV CA5 0.000001369 0.52979 21.5789
216 1TIQ COA 0.00000004366 0.48207 22.1053
217 2IL4 COA 0.00002161 0.54113 25.2427
218 1TUV VK3 0.03298 0.41906 25.4386
219 1CJW COT 0.000002487 0.50906 25.9036
220 2QV7 ADP 0.004731 0.40809 28.4211
221 1BO4 COA 0.000003378 0.60226 29.7619
222 1WWZ ACO 0.0000006648 0.52968 34.5912
Pocket No.: 2; Query (leader) PDB : 2VEZ; Ligand: ACO; Similar sites found: 217
This union binding pocket(no: 2) in the query (biounit: 2vez.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BTN I3P 0.002287 0.50242 None
2 1ULE GLA GAL NAG 0.002757 0.46593 None
3 1UO5 PIH 0.01681 0.44916 None
4 2E1A MSE 0.002643 0.43488 None
5 1C1L GAL BGC 0.03694 0.40392 None
6 2QLX RM4 0.03775 0.40346 None
7 1I2L DCS 0.003127 0.40214 None
8 1JI0 ATP 0.01541 0.4249 1.57895
9 1ZJ6 G3D 0.007594 0.4068 1.60428
10 2B4B COA 0.000003966 0.55431 1.75439
11 2B4D COA 0.000006466 0.46175 1.75439
12 3UEC ALA ARG TPO LYS 0.0002693 0.50703 2.10526
13 1G6H ADP 0.005464 0.45576 2.10526
14 3MAG 3MA 0.01815 0.4389 2.10526
15 3LRE ADP 0.0129 0.4306 2.10526
16 3F81 STT 0.00009414 0.55041 2.18579
17 2JGS BTN 0.01956 0.40469 2.30769
18 3F8C HT1 0.02707 0.40063 2.38095
19 3TE4 ACO 0.0000002282 0.59526 2.63158
20 1G8S MET 0.0000572 0.5297 2.63158
21 2AWN ADP 0.00268 0.47203 2.63158
22 1OAA OAA 0.0005145 0.41846 2.63158
23 1WDA BAG 0.007712 0.41527 2.63158
24 3CZ7 ACO 0.001779 0.40298 2.63158
25 2ZFN ACO 0.0002099 0.46162 2.82609
26 4COQ SAN 0.00339 0.44745 2.83401
27 1T10 F6P 0.003168 0.44263 3.15789
28 1Q11 TYE 0.002409 0.44206 3.15789
29 2ZW5 COA 0.00006364 0.44182 3.15789
30 1XIU REA 0.0008929 0.42941 3.15789
31 2Z9V PXM 0.005709 0.42577 3.15789
32 2Y7P SAL 0.02093 0.40115 3.15789
33 4IAE 1DX 0.003195 0.4014 3.1746
34 3S9K CIT 0.004432 0.48517 3.38983
35 3RF4 FUN 0.006822 0.42241 3.44828
36 3BY8 MLT 0.002503 0.46047 3.52113
37 3SXN COA 0.00001 0.53102 3.68421
38 4B5P ACO 0.000007515 0.49371 3.68421
39 3TO7 COA 0.00002339 0.46425 3.68421
40 1PEA ACM 0.00348 0.46088 3.68421
41 1EYE PMM 0.0003607 0.45931 3.68421
42 3O2K QRP 0.00167 0.43794 3.68421
43 3I0O ADP 0.001811 0.4365 3.68421
44 3LTW HLZ 0.01333 0.41977 3.68421
45 4IXW IXW 0.006397 0.4187 3.68421
46 3A1I UNU 0.006272 0.41444 3.68421
47 2C5S AMP 0.009323 0.41179 3.68421
48 3I0O SMI 0.01691 0.40988 3.68421
49 2BJK NAD 0.002321 0.40583 3.68421
50 3O2K DST 0.02109 0.401 3.68421
51 4K30 NLG 0.005238 0.4274 3.75
52 1V7R CIT 0.02619 0.43016 3.76344
53 3D2M COA 0.0000007742 0.53992 4.21053
54 2FT0 ACO 0.0000281 0.534 4.21053
55 1MZV AMP 0.0006979 0.45341 4.21053
56 1SQ5 PAU 0.00519 0.42758 4.21053
57 4KCT FDP 0.005867 0.41125 4.21053
58 2NCD ADP 0.03171 0.41057 4.21053
59 2AQJ FAD 0.003967 0.40253 4.21053
60 4O8A FAD 0.0006572 0.40052 4.21053
61 2AQJ TRP 0.004414 0.40031 4.21053
62 2Q8H TF4 0.01158 0.44173 4.73684
63 4KOA NDP 0.0005376 0.43745 4.73684
64 3NHB ADP 0.01626 0.42672 4.73684
65 2YCD GTB 0.003988 0.41792 4.73684
66 4OB6 S2T 0.002691 0.41594 4.73684
67 4CCO OGA 0.01122 0.41298 4.73684
68 1TV5 N8E 0.03822 0.40743 4.73684
69 1YRX FMN 0.002622 0.42064 4.95868
70 4QC6 30N 0.0001141 0.48086 5.02793
71 3KMT SAH 0.002377 0.42228 5.04202
72 2WPW ACO 0.0000008273 0.6058 5.26316
73 4F8L GAL 0.004 0.48474 5.26316
74 2WPX ACO 0.0000006938 0.48073 5.26316
75 2VZZ SCA 0.00008607 0.46203 5.26316
76 1JJ7 ADP 0.004331 0.46028 5.26316
77 2CBZ ATP 0.005508 0.45291 5.26316
78 3SHR CMP 0.0007752 0.45154 5.26316
79 1DBT U5P 0.001496 0.41714 5.26316
80 2Q09 DI6 0.007491 0.4158 5.26316
81 3LZW NAP 0.00225 0.40979 5.26316
82 2C2A ADP 0.004259 0.40462 5.26316
83 3RC3 ANP 0.03125 0.4045 5.26316
84 4KOT CE3 0.0000005078 0.56201 5.55556
85 3I51 45C 0.005148 0.41351 5.55556
86 3F8K COA 0.000004342 0.48429 5.625
87 1MXI SAH 0.002922 0.40679 5.625
88 1ZZ7 S0H 0.002138 0.44431 5.78947
89 1RZM PEP 0.002443 0.4418 5.78947
90 1XE7 GUN 0.0132 0.43875 5.78947
91 2F2U M77 0.002573 0.43026 5.78947
92 1RZM E4P 0.01371 0.42485 5.78947
93 3P2H NOO 0.01248 0.40632 5.78947
94 1B0U ATP 0.005682 0.40375 5.78947
95 1R6D DAU 0.003151 0.40119 5.78947
96 1KYQ NAD 0.004398 0.40047 5.78947
97 3ZPG 5GP 0.002233 0.47896 6.31579
98 3PMA SCR 0.0077 0.4417 6.31579
99 2Q28 ADP 0.001833 0.41019 6.31579
100 1N71 COA 0.00000004737 0.63904 6.66667
101 3DGB MUC 0.0007124 0.44759 6.84211
102 2W58 ADP 0.01092 0.44003 6.84211
103 1V6A TRE 0.007401 0.42607 6.84211
104 3CF6 SP1 0.001558 0.42485 6.84211
105 4AG5 ADP 0.03102 0.41083 6.84211
106 1QZZ SAM 0.004729 0.41075 6.84211
107 1ZK7 FAD 0.00226 0.40052 6.84211
108 2EJU SAH 0.004534 0.4 6.84211
109 2QCX PF1 0.003097 0.44307 6.84411
110 1WGC SIA GAL BGC 0.004343 0.47273 7.01754
111 2WGC SIA GAL BGC 0.04421 0.42496 7.01754
112 4C2X NHW 0.000001989 0.54173 7.36842
113 2IZ1 ATR 0.002763 0.45157 7.36842
114 1M5B BN1 0.001537 0.41437 7.36842
115 2G86 UMP 0.002591 0.40137 7.36842
116 3R96 AMP 0.00007969 0.47406 7.44681
117 4M5P MLA 0.01162 0.44948 7.86241
118 4M5P 23W 0.03277 0.41196 7.86241
119 2VBQ BSJ 0.0000004231 0.51353 7.87879
120 4F4S EFO 0.001524 0.4507 7.89474
121 1Z44 FMN 0.002775 0.41968 7.89474
122 3B6C SDN 0.02309 0.41555 7.89474
123 1Z41 FMN 0.00365 0.41098 7.89474
124 2X7I CIT 0.02367 0.4069 7.89474
125 1BOB ACO 0.00000217 0.54814 8.125
126 2FR6 CTN 0.001511 0.41699 8.21918
127 2FR6 URI 0.001764 0.4146 8.21918
128 3QDT A2G GAL 0.003807 0.45893 8.39161
129 4H6U ACO 0.000004372 0.47196 8.42105
130 1P0H ACO 0.000004185 0.55365 8.94737
131 1P0H COA 0.000003968 0.55365 8.94737
132 2OG2 MLI 0.0021 0.44645 8.94737
133 2XDQ MGX 0.009633 0.4459 8.94737
134 3B9Q MLI 0.006279 0.43663 8.94737
135 1QDS PGA 0.002784 0.42887 8.94737
136 3QV9 QV7 0.006855 0.42757 8.94737
137 2IXB A2G 0.000179 0.42666 8.94737
138 2JBH 5GP 0.0004827 0.46595 9.33333
139 4AVB ACO 0.000002677 0.53898 9.47368
140 2ZWS PLM 0.001374 0.51113 9.47368
141 4PSW COA 0.00001485 0.4335 9.47368
142 1U5R ATP 0.001865 0.42192 9.47368
143 2XT3 ADP 0.02061 0.42069 9.47368
144 1W3R 2MN 0.004487 0.41163 9.47368
145 1XX4 BAM 0.01521 0.40955 9.47368
146 1W3R PYR 0.03918 0.40801 9.47368
147 1B4P GPS 0.003508 0.40397 9.47368
148 4MTI 2DX 0.01987 0.42141 9.56522
149 3IA4 MTX 0.01773 0.40588 9.87654
150 1S7N COA 0.00001477 0.52915 9.89011
151 1T0S BML 0.0006037 0.49887 10
152 3B5J 12D 0.02137 0.41734 10
153 3K9U ACO 0.000001069 0.41582 10.0629
154 1GXU 2HP 0.0009214 0.47004 10.989
155 1N9L FMN 0.001509 0.41701 11.0092
156 4C2Z MYA 0.000002906 0.46425 11.0526
157 1ME8 RVP 0.002445 0.41977 11.0526
158 4C2Z 646 0.000002919 0.40699 11.0526
159 1Y9Q MED 0.006478 0.43438 11.5789
160 3ZJ0 ACO 0.0000003876 0.53061 11.6505
161 1ECM TSA 0.01254 0.40634 11.9266
162 1YOA FMN 0.009019 0.46461 11.9497
163 1YOA FAD 0.00009493 0.44546 11.9497
164 3BIY 01K 0.0007525 0.40762 12.1053
165 2Q37 3AL 0.006663 0.42812 12.1547
166 1PUA COA 0.000003795 0.56138 12.2699
167 1QSN COA 0.000004916 0.55632 12.3457
168 1QSR ACO 0.0000002951 0.53581 12.3457
169 1Q2C COA 0.00003827 0.44752 12.3457
170 1Q2D COA 0.00000788 0.44371 12.3457
171 1QO0 BMD 0.003894 0.44465 12.6316
172 1F1V DHY 0.003353 0.43052 12.6316
173 4E28 9MZ 0.009971 0.42566 12.6316
174 3JQ3 ADP 0.003902 0.42287 12.6316
175 1Y75 NAG 0.006253 0.41911 12.7119
176 3KPE TM3 0.0147 0.41779 12.8205
177 2ZPA ACO 0.0000000006866 0.60557 13.1579
178 1IYK MYA 0.000003552 0.50098 13.1579
179 4U9W COA 0.000000001389 0.49705 13.1579
180 3T31 DCQ 0.001019 0.42013 13.1579
181 3T31 FAD 0.0009064 0.42013 13.1579
182 2CNT COA 0.0000000409 0.55914 13.6842
183 1O9U ADZ 0.005984 0.45668 13.6842
184 4RJK PYR 0.00853 0.44139 13.6842
185 1KTC NGA 0.004365 0.43085 13.6842
186 3DER ALA LYS 0.0004827 0.42218 13.6842
187 4KCF AKM 0.001034 0.41483 13.6842
188 3P3N AKG 0.02274 0.40892 13.6842
189 2V5E SCR 0.02984 0.42704 13.8614
190 2YNC YNC 0.000001958 0.53562 14.2105
191 4IMG NGF 0.0003868 0.43362 14.2105
192 1SS4 CIT 0.00004657 0.65517 15.0327
193 1SS4 GSH 0.0004595 0.54967 15.0327
194 1Y42 TYR 0.004109 0.43199 15.2632
195 4Q0A 4OA 0.0021 0.4119 15.7895
196 4NSQ COA 0.0000004495 0.61044 16.3158
197 3EZ2 ADP 0.01534 0.42059 16.3158
198 1W7J ADP BEF 0.002164 0.41536 16.3158
199 2JDC CAO 0.000000006218 0.62604 17.1233
200 1IID NHM 0.00004753 0.48698 17.3684
201 2Q4V ACO 0.00000001137 0.62894 17.6471
202 4B9E FAH 0.003805 0.45171 17.8947
203 1SJW NGV 0.0008651 0.43443 18.0556
204 1CM0 COA 0.0000001639 0.64745 18.4524
205 1M4I KAN 0.00001764 0.49978 18.7845
206 1QSM ACO 0.00000005157 0.60261 19.7368
207 4KVX ACO 0.00000004331 0.56804 19.8718
208 3KJQ B94 0.002898 0.42342 20
209 1GHE ACO 0.000000002103 0.599 20.339
210 2EB5 OXL 0.007031 0.43272 21.0526
211 1KUV CA5 0.000002808 0.52247 21.5789
212 1TIQ COA 0.0000000391 0.4911 22.1053
213 2IL4 COA 0.00001979 0.54113 25.2427
214 1TUV VK3 0.04001 0.41344 25.4386
215 1CJW COT 0.000004186 0.50729 25.9036
216 1BO4 COA 0.00000346 0.59979 29.7619
217 1WWZ ACO 0.0000009228 0.53186 34.5912
Feedback