Receptor
PDB id Resolution Class Description Source Keywords
3CV2 1.4 Å EC: 2.3.3.9 ATOMIC RESOLUTION STRUCTURES OF ESCHERICHIA COLI AND BACILLIS ANTHRACIS MALATE SYNTHASE A: COMPARISON WITH I SOFORM G AND IMPLICATIONS FOR STRUCTURE BASED DRUG DESIGN ESCHERICHIA COLI MALATE SYNTHASE TIM BARREL CYTOPLASM GLYOXYLATE BYPASS TRANSFERASE TRICARBOXYLIC ACID CYCLE
Ref.: ATOMIC RESOLUTION STRUCTURES OF ESCHERICHIA COLI AND BACILLUS ANTHRACIS MALATE SYNTHASE A: COMPARISON WITH ISOFORM G AND IMPLICATIONS FOR STRUCTURE-BASED DRUG DISCOVERY PROTEIN SCI. V. 17 1935 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:1002;
B:1001;
Valid;
Valid;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
MG A:1;
A:1001;
B:1;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
OXL A:1000;
B:1000;
Valid;
Valid;
none;
none;
Ki = 37 uM
88.019 C2 O4 C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CV2 1.4 Å EC: 2.3.3.9 ATOMIC RESOLUTION STRUCTURES OF ESCHERICHIA COLI AND BACILLIS ANTHRACIS MALATE SYNTHASE A: COMPARISON WITH I SOFORM G AND IMPLICATIONS FOR STRUCTURE BASED DRUG DESIGN ESCHERICHIA COLI MALATE SYNTHASE TIM BARREL CYTOPLASM GLYOXYLATE BYPASS TRANSFERASE TRICARBOXYLIC ACID CYCLE
Ref.: ATOMIC RESOLUTION STRUCTURES OF ESCHERICHIA COLI AND BACILLUS ANTHRACIS MALATE SYNTHASE A: COMPARISON WITH ISOFORM G AND IMPLICATIONS FOR STRUCTURE-BASED DRUG DISCOVERY PROTEIN SCI. V. 17 1935 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3CV2 Ki = 37 uM OXL C2 O4 C(=O)(C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3CV2 Ki = 37 uM OXL C2 O4 C(=O)(C(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3CV2 Ki = 37 uM OXL C2 O4 C(=O)(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: COA; Similar ligands found: 197
No: Ligand ECFP6 Tc MDL keys Tc
1 COA 1 1
2 0T1 0.894737 0.976744
3 DCA 0.893805 0.954023
4 COS 0.887931 0.977012
5 ETB 0.877193 0.920455
6 CAO 0.871795 0.965909
7 AMX 0.871795 0.988235
8 30N 0.871795 0.913979
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 FAM 0.857143 0.954545
12 ACO 0.857143 0.965909
13 FCX 0.857143 0.94382
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 CA6 0.836066 0.885417
18 SOP 0.836066 0.977012
19 MCD 0.836066 0.954545
20 COK 0.836066 0.977012
21 OXK 0.836066 0.977012
22 NMX 0.829268 0.903226
23 CO6 0.829268 0.977012
24 CMC 0.829268 0.977012
25 1VU 0.829268 0.965909
26 CAJ 0.822581 0.954545
27 SCD 0.822581 0.976744
28 2MC 0.822581 0.934066
29 2CP 0.81746 0.965909
30 BCO 0.816 0.977012
31 3HC 0.816 0.988372
32 1HE 0.816 0.955056
33 MLC 0.816 0.977012
34 A1S 0.816 0.977012
35 IVC 0.816 0.988372
36 COD 0.810345 0.988235
37 CAA 0.809524 0.988372
38 COO 0.809524 0.977012
39 MCA 0.809524 0.965909
40 YE1 0.809524 0.965517
41 SCA 0.80315 0.977012
42 MC4 0.80315 0.923913
43 IRC 0.796875 0.988372
44 3CP 0.796875 0.977012
45 CA8 0.796875 0.885417
46 BYC 0.796875 0.977012
47 COW 0.796875 0.965909
48 2KQ 0.796875 0.955056
49 COF 0.796875 0.955056
50 HGG 0.796875 0.977012
51 1GZ 0.796875 0.965909
52 4CA 0.790698 0.965909
53 FAQ 0.790698 0.977012
54 BCA 0.790698 0.965909
55 GRA 0.784615 0.977012
56 HXC 0.784615 0.955056
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 1CZ 0.772727 0.965909
60 CO8 0.772727 0.955056
61 S0N 0.772727 0.954545
62 2NE 0.772727 0.955056
63 CIC 0.772727 0.977012
64 0FQ 0.766917 0.977012
65 ST9 0.766917 0.955056
66 4CO 0.766917 0.965909
67 UCC 0.766917 0.955056
68 MFK 0.766917 0.955056
69 DCC 0.766917 0.955056
70 MYA 0.766917 0.955056
71 5F9 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 CS8 0.755556 0.944444
75 WCA 0.755556 0.955056
76 4KX 0.75 0.944444
77 UOQ 0.75 0.955056
78 NHW 0.75 0.955056
79 HDC 0.75 0.955056
80 NHM 0.75 0.955056
81 HFQ 0.744526 0.955056
82 MRS 0.744526 0.955056
83 MRR 0.744526 0.955056
84 DAK 0.73913 0.944444
85 YNC 0.73913 0.965909
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 1HA 0.713287 0.955056
89 01K 0.708333 0.977012
90 COT 0.703448 0.977012
91 CCQ 0.695652 0.934066
92 CA3 0.693878 0.977012
93 CA5 0.671053 0.934066
94 UCA 0.666667 0.955056
95 93P 0.666667 0.965909
96 CO7 0.664234 0.977012
97 93M 0.64557 0.965909
98 OXT 0.634146 0.913979
99 5TW 0.607143 0.913979
100 4BN 0.607143 0.913979
101 PAP 0.603604 0.811765
102 JBT 0.598837 0.894737
103 BSJ 0.592814 0.944444
104 HMG 0.581081 0.943182
105 COA MYR 0.573333 0.922222
106 PLM COA 0.573333 0.922222
107 COA PLM 0.573333 0.922222
108 A3P 0.54955 0.8
109 PPS 0.547009 0.752688
110 0WD 0.521739 0.788889
111 RFC 0.490683 0.955056
112 SFC 0.490683 0.955056
113 191 0.490196 0.865979
114 3AM 0.482143 0.788235
115 PTJ 0.48062 0.872093
116 ACE SER ASP ALY THR NH2 COA 0.478261 0.932584
117 4PS 0.477477 0.682353
118 A22 0.468254 0.813953
119 A2D 0.465517 0.802326
120 PUA 0.462585 0.820225
121 PAJ 0.460938 0.883721
122 AGS 0.459016 0.806818
123 SAP 0.459016 0.806818
124 ATR 0.459016 0.8
125 3OD 0.458015 0.825581
126 ADP 0.453782 0.823529
127 A2R 0.448819 0.813953
128 BA3 0.445378 0.802326
129 NA7 0.442748 0.858824
130 OAD 0.442748 0.825581
131 ATP 0.442623 0.823529
132 AP5 0.441667 0.802326
133 B4P 0.441667 0.802326
134 APR 0.439024 0.802326
135 5FA 0.439024 0.823529
136 2A5 0.439024 0.847059
137 AQP 0.439024 0.823529
138 AR6 0.439024 0.802326
139 AN2 0.438017 0.813953
140 48N 0.435714 0.808989
141 M33 0.434426 0.813953
142 SRP 0.429688 0.837209
143 ANP 0.428571 0.804598
144 ADQ 0.427481 0.804598
145 YLB 0.426573 0.908046
146 YLP 0.425532 0.886364
147 5AL 0.425197 0.813953
148 7D3 0.425 0.793103
149 AD9 0.424 0.804598
150 APU 0.423611 0.786517
151 7D4 0.422764 0.793103
152 CA0 0.422764 0.804598
153 25L 0.422222 0.813953
154 ATF 0.421875 0.795455
155 NJP 0.421769 0.806818
156 A2P 0.421488 0.788235
157 A A A 0.421053 0.813953
158 8QN 0.419847 0.813953
159 PNS 0.419643 0.682353
160 ACP 0.419355 0.825581
161 NDP 0.417808 0.788889
162 ACQ 0.417323 0.825581
163 A1R 0.416667 0.882353
164 ATP A A A 0.416058 0.770115
165 A 0.415254 0.8
166 AMP 0.415254 0.8
167 FYA 0.414815 0.813953
168 1ZZ 0.414815 0.842697
169 TXA 0.414815 0.816092
170 NB8 0.414815 0.808989
171 AHX 0.413534 0.829545
172 DLL 0.413534 0.793103
173 00A 0.413534 0.758242
174 PAX 0.412903 0.793478
175 OMR 0.409722 0.853933
176 25A 0.409091 0.802326
177 OOB 0.409091 0.793103
178 NPW 0.408163 0.822222
179 WAQ 0.407407 0.860465
180 A A 0.407407 0.781609
181 TAT 0.40625 0.816092
182 4AD 0.406015 0.827586
183 AMO 0.406015 0.837209
184 YAP 0.405797 0.806818
185 FA5 0.405797 0.816092
186 TXP 0.405405 0.829545
187 ABM 0.404959 0.781609
188 PRX 0.404762 0.825581
189 ME8 0.404412 0.842697
190 BIS 0.404412 0.818182
191 AFH 0.404255 0.78022
192 J7V 0.403846 0.778947
193 NAI 0.402778 0.777778
194 ODP 0.402685 0.78022
195 ADX 0.4 0.752688
196 SRA 0.4 0.784091
197 AU1 0.4 0.804598
Ligand no: 2; Ligand: OXL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OXL 1 1
2 MLI 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CV2; Ligand: COA; Similar sites found: 130
This union binding pocket(no: 1) in the query (biounit: 3cv2.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1OPK P16 0.0494 0.40055 0.808081
2 1BRW URA 0.00845 0.41351 1.38568
3 5X8G S0N 0.01006 0.45855 1.4433
4 4TWP AXI 0.03518 0.42315 1.47601
5 1D6H COA 0.04288 0.41095 1.55039
6 3E7O 35F 0.03389 0.40809 1.66667
7 4DP3 NDP 0.0142 0.4519 1.8797
8 4DP3 MMV 0.0142 0.4519 1.8797
9 2HKJ RDC 0.02161 0.42225 1.91898
10 4XDA ADP 0.01194 0.43871 1.94175
11 5HCV 60R 0.01793 0.41687 1.94553
12 4JD3 COA 0.03334 0.42413 1.983
13 4JD3 PLM 0.03554 0.42413 1.983
14 3TDC 0EU 0.006436 0.45233 2.06767
15 2CKM AA7 0.03669 0.42068 2.06767
16 3CB2 GDP 0.01489 0.41491 2.10526
17 2RKV COA 0.03132 0.41305 2.21729
18 2RKV ZBA 0.03526 0.41305 2.21729
19 3E9I XAH 0.02646 0.41556 2.23124
20 2I0G I0G 0.03868 0.42127 2.33463
21 4DW4 U5P 0.0244 0.4049 2.39521
22 1T57 FMN 0.0002823 0.51539 2.42718
23 3EYA TDP 0.01574 0.42487 2.44361
24 3O8M GLC 0.003696 0.4388 2.47423
25 3O8M BGC 0.003696 0.4388 2.47423
26 3BJU ATP 0.006592 0.42672 2.4952
27 4ZVI 4S4 0.01355 0.41096 2.65252
28 3K87 FAD 0.04201 0.40943 2.7027
29 2GJP BGC GLC DAF GLC GLC GLC DAF 0.01977 0.4505 2.8866
30 4LAE 1VM 0.01836 0.44972 2.99401
31 4LAE NAP 0.01836 0.44972 2.99401
32 5DLY 5D7 0.02669 0.43117 3.00752
33 4OR7 NAP 0.01199 0.43809 3.0303
34 4X7R 3YW 0.03803 0.40215 3.24544
35 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.01492 0.40621 3.27869
36 2Q6B HR2 0.02702 0.43725 3.40136
37 3NEM AMO 0.008649 0.43447 3.42466
38 3NEM ATP 0.00885 0.42096 3.42466
39 2J83 BAT 0.03226 0.40159 3.43511
40 3BQD DAY 0.005621 0.44673 3.52941
41 4P6X HCY 0.03933 0.41245 3.52941
42 1MDB AMP DBH 0.005279 0.44303 3.57143
43 3G6K FAD 0.04317 0.40222 3.57143
44 3G6K POP 0.04131 0.40222 3.57143
45 2EFJ SAH 0.01006 0.41716 3.64583
46 4Q9M FPP 0.04667 0.40713 3.65854
47 3Q2H QHF 0.02074 0.40424 3.7037
48 3HCN CHD 0.03581 0.42511 3.89972
49 2F5Z FAD 0.048 0.41066 4.00844
50 4A1O JLN 0.006641 0.43698 4.0153
51 1W96 S1A 0.0242 0.40854 4.13534
52 3AWJ COA 0.01505 0.42051 4.22886
53 1DR1 HBI 0.0468 0.40697 4.2328
54 1DR1 NAP 0.0468 0.40697 4.2328
55 12AS AMP 0.01067 0.43658 4.24242
56 1UOU CMU 0.01005 0.41897 4.43038
57 1BWO LPC 0.02085 0.4135 4.44444
58 5WX3 COA 0.03898 0.40489 4.54545
59 4B7P 9UN 0.03565 0.42485 4.78261
60 4QS9 BGC 0.004081 0.43246 4.85232
61 3A5Y KAA 0.01483 0.42465 4.92754
62 3IA4 NDP 0.006946 0.45554 4.93827
63 3RET PYR 0.01977 0.40262 4.9505
64 3RET SAL 0.01977 0.40262 4.9505
65 4OAR 2S0 0.0064 0.44388 5.03876
66 3G1Z AMP 0.005567 0.4312 5.21472
67 1AMU AMP 0.017 0.4044 5.50622
68 5MUL BDP 0.004593 0.41901 5.56845
69 5EYP LOC 0.01741 0.41721 5.61798
70 3M6P BB2 0.007157 0.43265 5.69948
71 1B7Y FYA 0.006323 0.44434 5.71429
72 1SL4 MAN MAN MAN MAN 0.0138 0.40428 5.80645
73 4KM2 TOP 0.02799 0.41531 6.14525
74 4KM2 ATR 0.02669 0.41531 6.14525
75 1GEG GLC 0.001927 0.46562 6.25
76 2CNT COA 0.002265 0.46381 6.25
77 3OJO NAD 0.0136 0.422 6.2645
78 3A5Z KAA 0.02758 0.41486 6.28272
79 4M7V NAP 0.02595 0.41879 6.28571
80 4M7V RAR 0.04048 0.41879 6.28571
81 2QZT PLM 0.01324 0.43299 6.30631
82 3T7S SAM 0.02508 0.40668 6.34328
83 4RHP PEF 0.01671 0.41619 6.38298
84 1DKF OLA 0.01771 0.40708 6.38298
85 4ZH7 FUC GAL NAG GAL FUC 0.008659 0.41736 6.39098
86 2VL8 UDP 0.02169 0.40797 6.39098
87 2VL8 CTS 0.0202 0.40797 6.39098
88 2GBB CIT 0.01145 0.40828 6.41026
89 3TEG DAH 0.01566 0.41602 6.50602
90 2PX6 DH9 0.01955 0.41567 6.64557
91 1ZVX FIN 0.03771 0.40997 6.74847
92 5IF4 6AK 0.0209 0.41668 6.91824
93 5DXV NAP 0.009846 0.43484 7.05128
94 2WCJ M21 0.03602 0.40743 7.0922
95 3KC1 2T6 0.01278 0.42409 7.12166
96 5HRA DAS 0.01278 0.41186 7.23404
97 1M13 HYF 0.0174 0.4308 7.27848
98 4DR9 BB2 0.006341 0.42323 7.29167
99 2BVL GLC 0.02595 0.40882 7.5188
100 2BVL UDP 0.02595 0.40882 7.5188
101 4B6C B5U 0.01382 0.41664 7.65306
102 1YQZ FAD 0.04901 0.41137 7.76256
103 4L9Z OXL 0.00001338 0.59624 7.9646
104 4L9Z COA 0.00001436 0.59624 7.9646
105 2D0O ADP 0.01682 0.40625 8.8
106 4EMV 0R9 0.008402 0.4189 8.84956
107 1U72 NDP 0.04188 0.4247 9.13978
108 1U72 MTX 0.04188 0.4247 9.13978
109 2ED4 FAD 0.01776 0.42299 9.39597
110 2DRC MTX 0.04348 0.45795 9.43396
111 4EJ1 FOL 0.0283 0.40026 9.43396
112 3R96 ACO 0.04919 0.40805 9.57447
113 3R96 AMP 0.04919 0.40805 9.57447
114 1OQC FAD 0.03553 0.4018 9.6
115 5LXT 7AK 0.01541 0.46416 9.63542
116 5LXT GTP 0.01689 0.46217 9.63542
117 3F8K COA 0.00793 0.43493 10
118 2Y31 SMQ 0.04484 0.40769 10.1124
119 2ZFZ ARG 0.0409 0.42006 10.1266
120 1EE0 CAA 0.04513 0.40082 10.4478
121 4K4D HFQ 0.03247 0.40584 10.9489
122 2W9S NDP 0.01215 0.43603 11.1801
123 5B4B LP5 0.048 0.40913 14.9194
124 3MBG FAD 0.04006 0.40102 15.1079
125 2BTO GTP 0.01827 0.41424 17.5926
126 3NZW BOC TY5 ALA RE0 ABN 0.02179 0.41506 17.6744
127 1KZN CBN 0.002009 0.46287 19.0244
128 4G4S LDZ 0.01306 0.41991 19.3878
129 3TTZ 07N 0.01227 0.40262 22.2222
130 3GN8 DEX 0.002034 0.47317 28.5714
Pocket No.: 2; Query (leader) PDB : 3CV2; Ligand: OXL; Similar sites found: 294
This union binding pocket(no: 2) in the query (biounit: 3cv2.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VCH UDP 0.02887 0.41281 1.04167
2 4IP7 FLC 0.0002122 0.48352 1.12782
3 3HQP OXL 0.0001865 0.49109 1.2024
4 2QN6 GDP 0.01373 0.40437 1.20773
5 1JQN DCO 0.00001787 0.44111 1.31579
6 4AF0 IMP 0.006414 0.42767 1.31579
7 5XDR ADP 0.007139 0.42456 1.31579
8 2DKH 3HB 0.03073 0.41082 1.31579
9 2DKH FAD 0.02458 0.41082 1.31579
10 2VJ8 HA2 0.03723 0.40716 1.31579
11 1Q19 APC 0.0278 0.40549 1.39165
12 1GQY ACP 0.004097 0.44297 1.47368
13 1P3D ANP 0.008186 0.42852 1.47368
14 2VF7 ADP 0.02052 0.40203 1.50376
15 3UXL CFI 0.0367 0.41517 1.56658
16 3RWO GDP 0.01855 0.4212 1.62162
17 4XQC 13D 0.03125 0.41608 1.68421
18 1VBH PEP 0.00007534 0.5149 1.69173
19 4ZG4 VO4 ADP 0.00532 0.45372 1.69173
20 4HDH ATP 0.02635 0.40226 1.69173
21 2G50 PYR 0.00009253 0.4808 1.69811
22 2VVG ADP 0.004656 0.4056 1.71429
23 1F9V ADP 0.0008997 0.45033 1.72911
24 5L13 6ZE 0.03267 0.42297 1.74081
25 1VEM GLC GLC 0.02534 0.40816 1.74419
26 4W93 3L9 0.0353 0.40751 1.81452
27 1U0J ADP 0.01181 0.41291 1.87266
28 2XAU ADP 0.004998 0.43231 1.8797
29 2J4D FAD 0.01598 0.42801 1.90476
30 4H8N NDP 0.01246 0.43076 1.93548
31 1W5T ANP 0.01287 0.41786 1.94175
32 4XDA ADP 0.02967 0.40888 1.94175
33 4XDA RIB 0.02967 0.40888 1.94175
34 1SQ5 ADP 0.02216 0.40496 1.94805
35 2X7I CIT 0.01554 0.40386 1.94805
36 4B5W PYR 0.0001292 0.54913 1.95312
37 2WET FAD 0.04174 0.4016 1.95695
38 2Q4H AMP 0.02092 0.42479 1.9943
39 5L3V GDP 0.02077 0.40748 2.00669
40 2XT3 ADP 0.004851 0.40648 2.03488
41 4FRZ ADP 0.00762 0.40032 2.07254
42 1FP6 ADP 0.03584 0.40416 2.07612
43 4D81 ADP 0.008792 0.42374 2.12014
44 2GOU FMN 0.02697 0.41281 2.19178
45 4KBF AMP 0.01638 0.40479 2.19178
46 3MTW M3R 0.008087 0.43237 2.23325
47 4PFO ADP 0.003148 0.46855 2.25564
48 3KTA AP5 0.0153 0.40651 2.31214
49 1IZC PYR 0.00001287 0.48348 2.35988
50 4RIF 3R2 0.03614 0.40461 2.37467
51 4ZKD GDP 0.01262 0.42998 2.40481
52 4KCF AKM 0.01095 0.41913 2.42291
53 4MXP DB4 0.02391 0.40638 2.43902
54 4U00 ADP 0.002156 0.42455 2.45902
55 3EBL GA4 0.02361 0.40582 2.46575
56 1TI7 NAP 0.03962 0.4075 2.55682
57 2GQT FAD 0.01359 0.45081 2.61194
58 2NCD ADP 0.000986 0.41532 2.61905
59 3A23 GAL 0.0007627 0.46172 2.63158
60 3TTC ADP 0.01592 0.41266 2.63158
61 3H22 B53 0.009377 0.43241 2.6936
62 2J5V PCA 0.005367 0.40857 2.7248
63 2V6G NAP 0.02327 0.42409 2.74725
64 2XTZ GSP 0.007663 0.43992 2.82486
65 5LXM ADP 0.0281 0.40769 2.82686
66 5M7P ADP 0.01676 0.40844 2.86344
67 1IM8 SAI 0.04664 0.4033 2.86885
68 3ZSN MIV 0.03351 0.40975 2.8777
69 1WY7 SAH 0.00714 0.42648 2.89855
70 5IRR GSP 0.02477 0.40768 2.92208
71 2C78 GNP 0.02006 0.4147 2.96296
72 2C77 GNP 0.01935 0.41316 2.96296
73 2C29 DQH 0.02147 0.42783 2.96736
74 1X6V ADP 0.03943 0.40626 3.00752
75 1PIG AGL GLC HMC AGL GLC BGC 0.04161 0.409 3.02419
76 5LW0 AR6 0.01749 0.40839 3.0303
77 1H74 ILE 0.01909 0.42388 3.04054
78 1H74 ADP 0.04731 0.40175 3.04054
79 2V5K OXM 0.00002386 0.5243 3.13589
80 3P4X ADP 0.02143 0.4007 3.1477
81 1QPR PPC 0.008067 0.42793 3.16901
82 2X77 GDP 0.02153 0.40059 3.1746
83 1SVM ATP 0.02239 0.42199 3.18302
84 5TSH ADP 0.008135 0.41 3.19549
85 1SKQ GDP 0.012 0.40699 3.21839
86 2Y65 ADP 0.007002 0.40511 3.28767
87 5H04 NAI 0.02229 0.40066 3.34129
88 2GWH A3P 0.01666 0.41072 3.3557
89 3LRE ADP 0.003105 0.41751 3.38028
90 1KC7 PPR 0.0000364 0.52516 3.38346
91 4KCT PYR 0.00005277 0.52324 3.40681
92 2QEN ADP 0.02193 0.40667 3.42857
93 1Z0A GDP 0.01423 0.41331 3.44828
94 2BLE 5GP 0.01062 0.42796 3.54223
95 3U6K GDP 0.01362 0.40881 3.5533
96 5JBQ GDP 0.01328 0.4083 3.5533
97 4G5G GDP 0.01352 0.40813 3.5533
98 1W78 ADP 0.0296 0.4102 3.5545
99 1D8T GDP 0.01511 0.40353 3.56234
100 3G6K POP 0.00224 0.47193 3.57143
101 3G6K FAD 0.002483 0.47193 3.57143
102 4Q4K FMN 0.0187 0.40551 3.57143
103 3FMI KAP 0.004149 0.45978 3.58566
104 1A4R GDP 0.009442 0.4193 3.66492
105 4R98 GNH 0.01696 0.40328 3.69004
106 5MEX PAP 0.008947 0.43235 3.72671
107 1FWV SGA MAG FUC 0.006355 0.41248 3.73134
108 5IRN ADP 0.02107 0.40474 3.7594
109 3EC1 GDP 0.002448 0.44338 3.79404
110 3AQ4 GDP 0.02153 0.40202 3.80435
111 3CNL GNP 0.02233 0.40046 3.81679
112 1XP8 AGS 0.0124 0.4082 3.82514
113 5TO8 7FM 0.04038 0.41298 3.90071
114 2AWN ADP 0.001771 0.42562 3.93701
115 5I0H ADP BEF 0.003209 0.45922 3.94737
116 4EIP FAD 0.03211 0.42226 3.94737
117 3RC3 ANP 0.01006 0.41611 3.94737
118 2ZE7 AMP 0.001434 0.481 3.95257
119 1UJ2 C5P 0.03156 0.41098 3.96825
120 2C6Q NDP 0.02253 0.41658 3.9886
121 4WOP CTP 0.0139 0.41433 4
122 2XZ9 PYR 0.00003836 0.53575 4.01235
123 5N69 ADP 0.00687 0.43387 4.0201
124 1XHC FAD 0.04116 0.40549 4.08719
125 4PJ3 ANP 0.01495 0.41735 4.13534
126 5FG3 GDP 0.01365 0.40006 4.13534
127 1ZUI SKM 0.04579 0.41552 4.16667
128 1P72 ADP 0.009325 0.44717 4.19162
129 2FH5 GTP 0.02744 0.40766 4.20561
130 1V1A KDG 0.01158 0.40087 4.20712
131 3RK1 ATP 0.01853 0.4113 4.21941
132 3RK0 AMP 0.02331 0.40713 4.21941
133 1ZJ6 G3D 0.02184 0.40355 4.27807
134 4LZJ 22H 0.016 0.40913 4.29043
135 2FAH GDP 0.0166 0.41873 4.32331
136 1IHU AF3 0.01694 0.41249 4.32331
137 1IHU ADP 0.01805 0.41249 4.32331
138 5JJR SAH 0.02387 0.40347 4.32331
139 2QZ3 XYP XYP XYP 0.02339 0.40198 4.32432
140 1GWN GTP 0.01989 0.40578 4.39024
141 1XNG ATP 0.02004 0.4144 4.47761
142 2Q8Z NUP 0.007481 0.43555 4.51128
143 1F6B GDP 0.01461 0.40234 4.54545
144 4YLG GDP 0.0183 0.41144 4.62428
145 1RYD NDP 0.0459 0.41411 4.65116
146 2PL3 ADP 0.007017 0.41984 4.66102
147 2HSA FMN 0.01655 0.4279 4.72637
148 4RZ3 ADP 0.01723 0.41447 4.74576
149 4R2I ANP 0.01339 0.40689 4.7619
150 3WXM GTP 0.005196 0.44937 4.78723
151 4NCN GTP 0.01542 0.40615 4.814
152 3DKP ADP 0.01633 0.4064 4.89796
153 1KYZ SAH 0.01383 0.41987 4.93151
154 2WZM NA7 0.01176 0.41755 4.947
155 1FZQ GDP 0.01507 0.40673 4.97238
156 4IXH IMP 0.007523 0.42477 4.98615
157 1RJ9 GCP 0.03789 0.42367 5
158 1YZG GDP 0.02005 0.40407 5.02793
159 3A1S GDP 0.02162 0.40529 5.03876
160 3HBF MYC 0.02742 0.42374 5.07519
161 3HBF UDP 0.01456 0.42299 5.07519
162 4RLE 2BA 0.02542 0.4061 5.12821
163 4XT2 43L 0.0288 0.4018 5.12821
164 4N70 2HX 0.02384 0.42904 5.18293
165 2I4I AMP 0.009916 0.41664 5.27578
166 5UQW GDP 0.01772 0.40217 5.29101
167 4V0K GDP 0.02345 0.41034 5.32544
168 4LPS GDP 0.02424 0.40252 5.3719
169 1JWY ADP 0.00104 0.48149 5.45113
170 4L80 OXL 0.000000009655 0.70285 5.45977
171 1ERB ETR 0.02581 0.40628 5.46448
172 4FCW ADP 0.01229 0.40957 5.46624
173 3AB3 GDP 0.02679 0.40463 5.52486
174 1NJF ADP 0.01606 0.41159 5.6
175 1NJF AGS 0.0177 0.41131 5.6
176 1U3G THF 0.005546 0.44717 5.6391
177 3B7G ANP 0.009468 0.42501 5.65217
178 2J0V GDP 0.01989 0.40676 5.66038
179 1BH2 GSP 0.01821 0.42155 5.71429
180 3IR1 MET 0.01103 0.40435 5.71429
181 3BFX A3P 0.01899 0.40884 5.74324
182 1PVN MZP 0.02914 0.41721 5.85106
183 3UYK 0CX 0.02959 0.42746 5.94315
184 2PZ8 APC 0.02155 0.41402 5.98592
185 2VB6 ADP BEF 0.002988 0.46635 6.04027
186 3IIJ ADP 0.01805 0.40677 6.11111
187 5HCN GCP 0.02457 0.40337 6.13027
188 4M9Q GNP 0.02438 0.40964 6.1674
189 1S8F GDP 0.03745 0.40553 6.21469
190 1I4D GDP 0.006557 0.41694 6.25
191 5J1J ANP 0.029 0.40597 6.31579
192 4TMZ GSP 0.01355 0.41027 6.37681
193 2ODE ALF GDP 0.02319 0.41549 6.38298
194 5JCM NAD 0.01643 0.44216 6.43016
195 5JCM FAD 0.01607 0.44216 6.43016
196 5JCM ISD 0.01643 0.44216 6.43016
197 2BME GNP 0.03975 0.40088 6.45161
198 2GCN GDP 0.0309 0.40542 6.46766
199 2GCO GNP 0.02816 0.40528 6.46766
200 3QP4 HL0 0.01515 0.4077 6.59341
201 1R4A GNP 0.02938 0.40918 6.66667
202 2FJU GSP 0.0299 0.40722 6.74157
203 1MJH ATP 0.02838 0.40941 6.79012
204 1YB5 NAP 0.01072 0.42691 6.83761
205 1IN4 ADP 0.0107 0.42382 6.88623
206 5EE5 GTP 0.02928 0.4049 7.01754
207 5HPY GDP 0.02456 0.40906 7.02703
208 5LTJ ADP 0.01217 0.41299 7.14286
209 3LKZ SFG 0.02427 0.40625 7.16511
210 1QF9 C5P 0.02408 0.418 7.2165
211 1QF9 ADP 0.02408 0.418 7.2165
212 1QF9 ALF 0.02408 0.418 7.2165
213 4XSH GSP 0.02422 0.40977 7.26257
214 3TK1 GDP 0.01134 0.41334 7.27273
215 4E03 ADP 0.02004 0.40606 7.28155
216 2V2G BEZ 0.006001 0.42071 7.29614
217 1OIX GDP 0.012 0.42833 7.32984
218 1OIV GDP 0.0162 0.42567 7.32984
219 5JNN 6LM 0.01138 0.42492 7.36842
220 3FB4 AP5 0.03382 0.40923 7.40741
221 3IUY AMP 0.006331 0.41788 7.45614
222 3WG6 NDP 0.003312 0.471 7.49186
223 3VMF GTP 0.01059 0.42895 7.5067
224 3QP8 HL0 0.01987 0.40051 7.6087
225 5JCZ GDP 0.01587 0.4183 7.82123
226 2B8W ALF 5GP 0.04007 0.40709 7.92683
227 4L9Z OXL 0.00000002485 0.75924 7.9646
228 4L9Z COA 0.00000002713 0.75924 7.9646
229 5KSZ GCP 0.02402 0.40147 8.01887
230 2W2X GSP 0.03242 0.40635 8.10811
231 1BG2 ADP 0.006271 0.40353 8.30769
232 5KUT GDP 0.01074 0.40546 8.46561
233 5L3S GNP 0.03109 0.41243 8.78378
234 1GXU 2HP 0.01105 0.41052 8.79121
235 4P32 ADP 0.02193 0.40292 8.83534
236 1MR3 G3D 0.01544 0.4033 8.83978
237 4KAX GTP 0.0255 0.40703 8.87574
238 3H4L ANP 0.006268 0.43974 8.99183
239 4FBL SPD 0.01177 0.4038 9.25267
240 1OW3 GDP 0.03404 0.40001 9.50413
241 3IHZ FK5 0.005877 0.46171 9.52381
242 5G1X ADP 0.005587 0.4363 9.52381
243 3MD0 GDP 0.01983 0.40098 9.57747
244 5L3R GCP 0.03699 0.40543 9.63455
245 5N6Y HCA 0.01327 0.40469 9.68421
246 3W6G FLC 0.01096 0.41624 9.72222
247 3CPJ GDP 0.009525 0.41765 9.86547
248 2VHJ ADP 0.03658 0.40884 9.96979
249 2F3R G5P 0.04257 0.4037 10.1449
250 1D2N ANP 0.0273 0.41334 10.2941
251 4HSE ADP 0.01229 0.41148 10.3275
252 4GOJ GNP 0.02325 0.40194 10.4167
253 1EE0 CAA 0.01642 0.41025 10.4478
254 1G7C 5GP 0.004391 0.4339 10.6383
255 4U5X GNP 0.02924 0.40257 10.6742
256 5L3W GDP 0.02173 0.40432 10.7843
257 5ODQ 9SB 0.02177 0.40573 10.8696
258 3VX3 ADP 0.02653 0.40695 10.8871
259 1B7T ADP 0.002833 0.45397 10.8974
260 2XMY CDK 0.04522 0.42069 11.0738
261 4DID GDP 0.01761 0.40428 11.1842
262 4J56 FAD 0.04659 0.40825 11.4035
263 3GNE FLC 0.02424 0.4014 11.5079
264 1XX6 ADP 0.02441 0.40042 11.5183
265 4N2R FUB 0.01179 0.40371 11.6766
266 5TIV A3P 0.0321 0.41819 11.8577
267 2CHG ANP 0.01337 0.42145 11.9469
268 2D2F ADP 0.004808 0.40548 12
269 4C4P GNP 0.0205 0.42171 12.1495
270 1KK8 BEF ADP 0.00208 0.46794 12.2302
271 1G4U GDP 0.02906 0.40443 12.2715
272 2VWT PYR 0.00007311 0.48761 12.3596
273 1C9K 5GP 0.003033 0.44366 12.7778
274 1KO8 6PG 0.01137 0.41921 13.1429
275 3RLF ANP 0.01047 0.42591 13.1757
276 3H4S ADP 0.00312 0.42073 13.3333
277 3ZL8 ADP 0.003922 0.4525 13.5011
278 4C2V YJA 0.01635 0.41982 13.6364
279 2VUT NAD 0.04925 0.40035 13.9535
280 3VZS CAA 0.02766 0.42987 14.786
281 3VZS NAP 0.01754 0.42987 14.786
282 3DFR NDP 0.01639 0.43273 14.8148
283 4WVO 3UZ 0.03164 0.40648 14.9171
284 5IXJ THR 0.01713 0.42289 15.1515
285 1Z0K GTP 0.02381 0.40642 15.942
286 2J59 GTP 0.03236 0.40123 18.4524
287 4ZI2 GNP 0.03163 0.40025 19.5489
288 2KIN ADP 0.001681 0.43487 20.1681
289 2VOH CIT 0.003224 0.43545 20.3822
290 1KSH GDP 0.02252 0.4109 20.3947
291 3ZIA ADP 0.01493 0.41438 22.9508
292 2HV8 GTP 0.02257 0.41751 28.125
293 3R5Y F42 0.02025 0.4011 30.6122
294 2D7C GTP 0.01609 0.42765 40.4762
Pocket No.: 3; Query (leader) PDB : 3CV2; Ligand: OXL; Similar sites found: 59
This union binding pocket(no: 3) in the query (biounit: 3cv2.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WY9 GDP 0.01161 0.40064 1.38249
2 3OEN GLU 0.02455 0.40526 1.3986
3 3V2U GLA 0.007715 0.42319 2.05479
4 4AVB ACO 0.0435 0.40084 2.1021
5 4FJU NAI 0.03549 0.40579 2.5641
6 2C1X UDP 0.02559 0.4301 2.63158
7 2EW1 GNP 0.03903 0.40063 2.98507
8 2ZPA ADP 0.007946 0.41606 3.00752
9 2ZPA ACO 0.03469 0.40819 3.00752
10 1RRM APR 0.02255 0.4073 3.10881
11 1B0U ATP 0.01806 0.40054 3.43511
12 3ZOK NAD 0.03646 0.40789 3.43915
13 1R2Q GNP 0.0382 0.41719 3.52941
14 1A4R GNH 0.007584 0.42381 3.66492
15 1I52 CTP 0.01407 0.4328 3.81356
16 2ZE7 DST 0.001289 0.48399 3.95257
17 1JXZ BCA 0.02072 0.41191 4.08922
18 4KOT CE3 0.04074 0.4167 4.32099
19 4WAS NAP 0.007015 0.45248 4.3956
20 4BAS GNP 0.03037 0.40447 4.52261
21 3E70 GDP 0.01779 0.40159 4.57317
22 1O3Y GTP 0.03262 0.40272 4.81928
23 1OJ7 NZQ 0.01438 0.44347 4.90196
24 1KYZ FER 0.03524 0.4106 4.93151
25 1H6C NDP 0.04517 0.41334 5.08083
26 1H6C SIN 0.04605 0.41309 5.08083
27 1NP7 FAD 0.01592 0.42771 5.11247
28 5KZD RCJ 0.01206 0.40979 5.11945
29 2X06 NAD 0.04038 0.40588 5.23256
30 3Q85 GNP 0.02081 0.401 5.32544
31 3R5W F42 0.02929 0.40254 5.35714
32 1FQK GDP 0.02253 0.40927 5.44218
33 3FG2 FAD 0.03011 0.40571 5.44554
34 1ZCB GDP 0.02721 0.40825 5.52486
35 2XVM SAH 0.02334 0.40805 5.52764
36 5X40 ACP 0.04029 0.40009 6.16438
37 1YNQ NDP 0.04356 0.40404 6.30915
38 4IMG NGF 0.008182 0.42051 6.82594
39 1UPT GTP 0.03387 0.40017 7.01754
40 2F9L GDP 0.01672 0.41826 7.03518
41 3REF GDP 0.02537 0.40268 7.2165
42 4YC7 GNP 0.02876 0.40973 7.34908
43 3OJI PYV 0.03039 0.4069 7.40741
44 5ITZ GTP 0.02899 0.40393 7.75194
45 1DS6 GDP 0.01748 0.40169 7.8125
46 4LX0 BEF GDP 0.02083 0.42072 7.9096
47 1MZC FPP 0.04341 0.42374 8.46682
48 1MZC BNE 0.04341 0.42374 8.46682
49 2A5F GTP 0.02742 0.40852 8.57143
50 2W83 GTP 0.03332 0.40125 9.09091
51 2IMF GSH 0.02893 0.40329 9.35961
52 1NF3 GNP 0.04086 0.40408 10.1562
53 1M2O GNP 0.04173 0.40115 10.7143
54 1RYH GNP 0.02849 0.40129 11.33
55 2H92 C5P 0.01596 0.41562 15.0685
56 5KDO GDP 0.01966 0.4123 16.2162
57 1GOT GDP 0.01367 0.42322 16.4384
58 5H67 ATP 0.02643 0.40001 18.75
59 1TU3 GNP 0.04244 0.40029 32.9114
Pocket No.: 4; Query (leader) PDB : 3CV2; Ligand: COA; Similar sites found: 6
This union binding pocket(no: 4) in the query (biounit: 3cv2.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2A3I C0R 0.01065 0.43066 1.97628
2 3LZW FAD 0.01752 0.42804 2.71084
3 1USF FMN 0.04675 0.40011 5.05618
4 3ZJ0 ACO 0.03608 0.40001 5.33981
5 2R75 01G 0.01936 0.42309 5.91716
6 5MES 7LT 0.006778 0.42383 8.69565
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