Receptor
PDB id Resolution Class Description Source Keywords
4U9W 2.49 Å EC: 2.3.1.- CRYSTAL STRUCTURE OF NATD BOUND TO H4/H2A PEPTIDE AND COA HOMO SAPIENS ACETYLTRANSFERASE GNAT FOLD N-TERMINAL ACETYLATION ACETYLTRANSFERASE
Ref.: THE MOLECULAR BASIS FOR HISTONE H4- AND H2A-SPECIFI AMINO-TERMINAL ACETYLATION BY NATD. STRUCTURE V. 23 332 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SER GLY ARG GLY LYS NH2 G:1;
F:1;
H:1;
E:1;
Valid;
Valid;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.114;
Atoms found LESS than expected: % Diff = 0.114;
Atoms found LESS than expected: % Diff = 0.086;
Atoms found LESS than expected: % Diff = 0.114;
submit data
462.532 n/a O=C(N...
NA C:302;
A:302;
H:101;
E:101;
Part of Protein;
Part of Protein;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
COA A:301;
B:301;
C:301;
D:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
GOL D:302;
A:304;
C:303;
A:303;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4U9W 2.49 Å EC: 2.3.1.- CRYSTAL STRUCTURE OF NATD BOUND TO H4/H2A PEPTIDE AND COA HOMO SAPIENS ACETYLTRANSFERASE GNAT FOLD N-TERMINAL ACETYLATION ACETYLTRANSFERASE
Ref.: THE MOLECULAR BASIS FOR HISTONE H4- AND H2A-SPECIFI AMINO-TERMINAL ACETYLATION BY NATD. STRUCTURE V. 23 332 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 4U9V - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 4U9W - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 4U9V - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 4U9W - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 4U9V - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 4U9W - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SER GLY ARG GLY LYS NH2; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 SER GLY ARG GLY LYS NH2 1 1
2 ARG ARG GLY CYS NH2 0.565789 0.8
3 ARG ARG GLY LEU NH2 0.564103 0.788462
4 ARG ARG GLY MET NH2 0.55 0.745455
5 ARG ARG GLY ILE NH2 0.525 0.823529
6 GLY ARG GLY ASP SER PRO 0.517647 0.918367
7 GLU ARG GLY SER GLY ARG 0.477778 0.901961
8 GLU ARG GLY MET THR 0.463158 0.785714
9 ARG GLY THR 0.448718 0.88
10 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.433628 0.786885
11 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.415842 0.811321
12 VAL ALA ARG SER 0.404762 0.843137
Ligand no: 2; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4U9W; Ligand: COA; Similar sites found: 276
This union binding pocket(no: 1) in the query (biounit: 4u9w.bio3) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BTN I3P 0.002342 0.47976 None
2 1UO5 PIH 0.005474 0.46047 None
3 1UO4 PIH 0.01204 0.43292 None
4 1TDF NAP 0.007869 0.42743 None
5 4F4S EFO 0.002198 0.42636 None
6 1TDF FAD 0.004007 0.42422 None
7 1ULE GLA GAL NAG 0.01018 0.42166 None
8 1HDR NAD 0.006852 0.41676 None
9 1Y2W NAG 0.007558 0.41508 None
10 4K30 NLG 0.002289 0.41495 None
11 2XBP ATP 0.01176 0.40546 None
12 3H86 AP5 0.01271 0.40413 None
13 4I9A NCN 0.004907 0.40237 None
14 2VDJ HSE 0.002617 0.44981 0.483092
15 1RZM PEP 0.0008838 0.44262 0.966184
16 1GSA ADP 0.00751 0.41436 0.966184
17 2QIA U20 0.01673 0.40404 0.966184
18 1M5B BN1 0.002662 0.43862 1.44928
19 4W6Z 8ID 0.00416 0.41367 1.44928
20 3WBF API 0.006073 0.40404 1.44928
21 3WBF NAP 0.004416 0.40404 1.44928
22 1ZJ6 G3D 0.002 0.41228 1.60428
23 2Q37 3AL 0.01118 0.40222 1.65746
24 2GJ3 FAD 0.004802 0.40471 1.66667
25 2YVF FAD 0.01812 0.40706 1.93237
26 2YVF NAD 0.01878 0.40706 1.93237
27 1EDO NAP 0.02941 0.40255 1.93237
28 3ZLM ANP 0.000768 0.41552 2.12766
29 1T26 NAI 0.007976 0.43653 2.41546
30 1T26 GBD 0.007976 0.43653 2.41546
31 3P0K FAD 0.0003943 0.43181 2.41546
32 4C2G ALA ALA ALA ALA 0.00284 0.41639 2.41546
33 2Y6P CTP 0.002886 0.41107 2.41546
34 2EWM NAD 0.003401 0.4109 2.41546
35 3ZS7 ATP 0.001626 0.41014 2.41546
36 1Y7P RIP 0.01051 0.40874 2.41546
37 2C7G FAD 0.01677 0.40577 2.41546
38 3FS8 ACO 0.03107 0.40472 2.41546
39 2NVK NAP 0.00745 0.40455 2.41546
40 3FSY SCA 0.009285 0.40102 2.41546
41 2BJK NAD 0.02059 0.40043 2.41546
42 1RSD PSB 0.03383 0.42718 2.47934
43 4O8A FAD 0.0002168 0.455 2.89855
44 4HA6 FAD 0.001213 0.44158 2.89855
45 3FPZ AHZ 0.006098 0.43543 2.89855
46 2PT9 2MH 0.000969 0.43505 2.89855
47 3RFV NAI 0.0007315 0.43102 2.89855
48 1TIW FAD 0.002238 0.4261 2.89855
49 1TIW TFB 0.002238 0.4261 2.89855
50 1RYI GOA 0.004216 0.42062 2.89855
51 1Z45 NAD 0.001768 0.42 2.89855
52 1ZK7 FAD 0.005108 0.41921 2.89855
53 3ZPG 5GP 0.01807 0.41633 2.89855
54 3TO7 COA 0.004886 0.41319 2.89855
55 1P4C FMN 0.01623 0.4121 2.89855
56 1XVV CCQ 0.006822 0.40869 2.89855
57 3E6J DR2 0.03382 0.40593 2.89855
58 2QA1 FAD 0.00624 0.40591 2.89855
59 2ZJF BSU 0.004155 0.40497 2.89855
60 4O1M NAD 0.004669 0.40451 2.89855
61 2BLE 5GP 0.02173 0.4032 2.89855
62 1RYI FAD 0.01252 0.40046 2.89855
63 3R51 MMA 0.005146 0.44353 3.125
64 1H8G CHT 0.002861 0.47585 3.15789
65 1R37 NAD 0.006574 0.40393 3.17003
66 4M5P MLA 0.0003669 0.51172 3.38164
67 3TKA CTN 0.003984 0.45812 3.38164
68 3LTW HLZ 0.002738 0.43455 3.38164
69 3QV9 QV7 0.002254 0.43186 3.38164
70 3GEG NAD 0.00114 0.42402 3.38164
71 3P7I P7I 0.003418 0.41848 3.38164
72 1PEA ACM 0.01278 0.41693 3.38164
73 2XCG XCG 0.002463 0.41471 3.38164
74 3ICC NAP 0.003057 0.4139 3.38164
75 3CKJ CIT 0.002024 0.41345 3.38164
76 4IVG ANP 0.01055 0.41015 3.38164
77 4M5P 23W 0.01864 0.40908 3.38164
78 4GYW UDP 0.004125 0.40907 3.38164
79 1A69 FMB 0.01676 0.40907 3.38164
80 1PR9 NAP 0.004856 0.40767 3.38164
81 1C0I BE2 0.01038 0.40716 3.38164
82 1C0I FAD 0.01038 0.40716 3.38164
83 2JBH 5GP 0.004966 0.40673 3.38164
84 2DTX BMA 0.00781 0.40644 3.38164
85 2VHJ ADP 0.001618 0.4064 3.38164
86 3A1I UNU 0.004053 0.40539 3.38164
87 1I0Z OXM 0.03297 0.40321 3.38164
88 4KS1 2H8 0.0127 0.40201 3.38164
89 3GE7 AFQ 0.007529 0.40056 3.38164
90 3BRE C2E 0.0161 0.40054 3.38164
91 4N7C AEF 0.01055 0.41451 3.40909
92 2DDH HXD 0.0002684 0.43564 3.86473
93 1JCM 137 0.0006937 0.43341 3.86473
94 2Q1S NAI 0.002229 0.43135 3.86473
95 2Q2V NAD 0.001127 0.43131 3.86473
96 4AAW R84 0.002929 0.43044 3.86473
97 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.002376 0.42725 3.86473
98 4COQ SAN 0.0041 0.42681 3.86473
99 4QN7 G39 0.002832 0.41882 3.86473
100 3Q9T FAY 0.003482 0.4188 3.86473
101 1V6A TRE 0.007184 0.41042 3.86473
102 9LDT NAD 0.003684 0.40961 3.86473
103 3F3E LEU 0.006312 0.40791 3.86473
104 2EB5 OXL 0.01277 0.40499 3.86473
105 9LDB NAD 0.005128 0.40431 3.86473
106 2YLD CMO 0.007169 0.4161 3.93701
107 3MBG FAD 0.001226 0.41969 4.31655
108 4E28 9MZ 0.001453 0.44669 4.34783
109 3MAG 3MA 0.007005 0.44519 4.34783
110 4E28 0MZ 0.002349 0.4311 4.34783
111 1R0X ATP 0.001892 0.42292 4.34783
112 3HU3 AGS 0.008622 0.42083 4.34783
113 1R6D NAD 0.009756 0.41378 4.34783
114 2DKH 3HB 0.005545 0.41213 4.34783
115 2DKH FAD 0.003956 0.41099 4.34783
116 1XHL NDP 0.00373 0.4107 4.34783
117 1KBJ FMN 0.003098 0.40523 4.34783
118 3BAZ NAP 0.003474 0.40344 4.34783
119 1EXB NDP 0.03124 0.40255 4.34783
120 3NKS ACJ 0.00134 0.40222 4.34783
121 3F81 STT 0.001198 0.47497 4.37158
122 3EW2 BTN 0.001957 0.42282 4.44444
123 1TU3 GNP 0.001956 0.41241 4.67836
124 3U5S FAD 0.001762 0.40705 4.7619
125 4B9E FAH 0.0001748 0.49604 4.83092
126 1T8U UAP SGN IDS SGN 0.001932 0.42853 4.83092
127 1JA9 NDP 0.01018 0.42164 4.83092
128 1Q0H FOM 0.006582 0.41491 4.83092
129 1C3V NDP 0.002949 0.41318 4.83092
130 1Q0H NDP 0.008685 0.41188 4.83092
131 3PFG SAM 0.006221 0.41122 4.83092
132 3PFG TLO 0.006221 0.41122 4.83092
133 1FIQ SAL 0.003742 0.41065 4.83092
134 1FIQ MTE 0.003178 0.41065 4.83092
135 1UKW FAD 0.006101 0.40847 4.83092
136 4KXV TDP DX5 0.007482 0.40614 4.83092
137 4NE2 SH2 0.007628 0.40263 4.83092
138 4NE2 ADP 0.007573 0.40162 4.83092
139 2W3L DRO 0.01721 0.41739 4.86111
140 3QDT A2G GAL 0.002766 0.44866 4.8951
141 3QDY CBS 0.003078 0.43905 4.8951
142 2ZJ5 ADP 0.0005712 0.4572 5.31401
143 2ZWS PLM 0.007715 0.45233 5.31401
144 2Y7P SAL 0.0007999 0.4444 5.31401
145 2IMP NAI 0.008136 0.43019 5.31401
146 1UXG FUM 0.002122 0.42698 5.31401
147 1UXG NAD 0.002122 0.42698 5.31401
148 2YC5 6BC 0.001869 0.4256 5.31401
149 4GQB 0XU 0.005531 0.42285 5.31401
150 3MPI GRA 0.02506 0.41564 5.31401
151 3I0O SMI 0.005843 0.41424 5.31401
152 2VAR AMP 0.002479 0.41361 5.31401
153 1I9G SAM 0.008357 0.41085 5.31401
154 2YBQ UP2 0.005321 0.40963 5.31401
155 4KQL 1SG 0.01716 0.40866 5.31401
156 3OIG NAD 0.01675 0.4078 5.31401
157 2VAR KDF 0.002917 0.40616 5.31401
158 1MVN PCO 0.01843 0.40446 5.31401
159 4M51 BEZ 0.02417 0.40365 5.31401
160 1V35 NAI 0.01177 0.4015 5.77508
161 2Q1A 2KT 0.001172 0.45079 5.7971
162 1H2B NAJ 0.000361 0.44971 5.7971
163 3D3W NAP 0.0009585 0.43119 5.7971
164 2P41 SAH 0.001391 0.40663 5.7971
165 1Q11 TYE 0.006678 0.40651 5.7971
166 1B8U OAA 0.004938 0.40617 5.7971
167 1RM4 NDP 0.003796 0.40357 5.7971
168 4RJK PYR 0.02767 0.40083 5.7971
169 4TMK T5A 0.007175 0.40015 5.7971
170 2V5E SCR 0.001068 0.48763 5.94059
171 1NVU GTP 0.007542 0.41899 6.0241
172 1NU4 MLA 0.003076 0.47413 6.18557
173 1VDC FAD 0.002903 0.43059 6.28019
174 2B4Q NAP 0.002468 0.41468 6.28019
175 1PL6 572 0.004391 0.4093 6.28019
176 3P3N AKG 0.01095 0.40795 6.28019
177 2RDT 2RD 0.02095 0.40753 6.28019
178 1SOW NAD 0.005643 0.40402 6.28019
179 3W54 RNB 0.0008878 0.40212 6.28019
180 3PLN U5P 0.009265 0.40065 6.28019
181 2O66 FLC 0.005026 0.41703 6.66667
182 1LVL FAD 0.001808 0.43487 6.76329
183 3U1T MLI 0.005524 0.42742 6.76329
184 1XX4 BAM 0.01091 0.42727 6.76329
185 2GDZ NAD 0.001225 0.42585 6.76329
186 2GSD NAD 0.002408 0.42147 6.76329
187 1RYD NDP 0.003879 0.41593 6.76329
188 2IXB A2G 0.004956 0.41296 6.76329
189 2IXB NAD 0.003164 0.41206 6.76329
190 4A6D SAM 0.001537 0.40718 6.76329
191 3I51 45C 0.003366 0.40384 6.76329
192 1Y75 NAG 0.004569 0.40817 6.77966
193 1YOA FMN 0.003519 0.47094 6.91824
194 1V7R CIT 0.001756 0.47642 6.98925
195 3SJ0 DXC 0.02099 0.40076 7.04225
196 1ZS6 ADP 0.004208 0.40959 7.10059
197 1G8S MET 0.000009734 0.54244 7.24638
198 2NCD ADP 0.001572 0.43852 7.24638
199 2AMV BIN 0.01399 0.40529 7.24638
200 3FXU TSU 0.00318 0.40324 7.24638
201 4G1V FAD 0.005125 0.40029 7.24638
202 3UEC ALA ARG TPO LYS 0.004052 0.43359 7.53425
203 2JBZ COA 0.005203 0.41934 7.69231
204 1G0N PHH 0.005678 0.41372 7.72947
205 1G0N NDP 0.004782 0.41355 7.72947
206 4USQ FAD 0.004152 0.4114 7.72947
207 3MD0 GDP 0.00423 0.4095 7.72947
208 1K6M AGS 0.0003926 0.40456 7.72947
209 1Y1A GSH 0.003917 0.4778 8.19672
210 1OAA OAA 0.003763 0.42254 8.21256
211 1QF5 RPL 0.008651 0.41195 8.21256
212 1QF5 GDP 0.008651 0.41195 8.21256
213 4AF0 IMP 0.01577 0.40166 8.21256
214 1T0I FMN 0.0009564 0.41224 8.37696
215 4JCA CIT 0.03132 0.41116 8.38323
216 2IZ1 ATR 0.0005178 0.46642 8.69565
217 3OND NAD 0.005946 0.41836 8.69565
218 3OND ADN 0.005946 0.41836 8.69565
219 1LDM NAD 0.01352 0.41415 8.69565
220 4WVH ASP HIS ASP ALA HIS ALA 0.003369 0.41344 8.69565
221 1O9U ADZ 0.02858 0.40634 8.69565
222 4LSJ LSJ 0.00224 0.40341 8.69565
223 4EXO PYR 0.005522 0.43435 8.90411
224 3LZW NAP 0.01448 0.40971 9.17874
225 3LZW FAD 0.006032 0.40971 9.17874
226 2P1O IHP 0.003201 0.41053 9.375
227 2P1O NLA 0.003201 0.41053 9.375
228 4NAO AKG 0.003549 0.43623 9.66184
229 2E2R 2OH 0.001591 0.42699 9.66184
230 3TFC PEP 0.005691 0.40937 9.66184
231 2A0W DIH 0.006271 0.40411 9.66184
232 4BMO FMN 0.001711 0.41449 10.084
233 4KCT PYR 0.0008389 0.43745 10.1449
234 3K37 BCZ 0.02456 0.40902 10.1449
235 4KCT FDP 0.003153 0.4049 10.1449
236 2R40 20E 0.002881 0.40477 10.1449
237 1L2T ATP 0.003362 0.40073 10.1449
238 3KJQ B94 0.0005856 0.43219 10.3659
239 1DLJ UGA 0.0008715 0.45294 10.628
240 1DLJ NAI 0.00113 0.44848 10.628
241 4KCF AKM 0.000571 0.42804 10.628
242 3PNL ADP 0.002581 0.40307 10.628
243 1SC3 MLI 0.00009294 0.51878 10.6742
244 3TA2 AKG 0.0009101 0.42911 11.0169
245 1EP2 ORO 0.001974 0.42349 11.1111
246 2Q8H TF4 0.01681 0.4179 11.1111
247 1TUV VK3 0.01499 0.42039 11.4035
248 1J5P NAD 0.001282 0.42217 11.5942
249 1T0S BML 0.00999 0.42206 11.5942
250 1Q3Q ANP 0.0106 0.41307 11.5942
251 2XVE FAD 0.002683 0.44142 12.0773
252 3OCZ SRA 0.0005741 0.41761 12.0773
253 1I2B NAD 0.01217 0.41067 12.0773
254 1I2B UPG 0.01217 0.41067 12.0773
255 1I2B USQ 0.01217 0.41067 12.0773
256 2AE2 PTO 0.00884 0.40535 12.0773
257 2AE2 NAP 0.00884 0.40535 12.0773
258 2BOI MFU 0.0007972 0.44446 12.3894
259 1YBH FAD 0.002343 0.42643 12.5604
260 4NVP 7CH 0.003379 0.41594 12.5604
261 2FR6 CTN 0.0003383 0.41812 13.0137
262 3AHC TPP 0.005474 0.40197 13.0435
263 2VEZ G6P 0.0000000002436 0.50776 13.1579
264 2VEZ ACO 0.000000001389 0.49705 13.1579
265 3DDC GNP 0.00425 0.4003 13.253
266 3CH5 GDP 0.002098 0.41151 13.4615
267 3WE0 FAD 0.003744 0.42262 13.5266
268 3S9K CIT 0.0001782 0.56577 14.4068
269 2V6O FAD 0.003897 0.44125 14.4928
270 1GAD NAD 0.002718 0.40882 15.4589
271 2VBQ BSJ 0.000000000002041 0.7594 16.9697
272 1NZY BCA 0.002156 0.41397 17.3913
273 1SS4 GSH 0.0001075 0.55917 18.9542
274 2E1A MSE 0.0006564 0.44168 20
275 1TH8 ADP 0.003088 0.40994 20
276 1EZV SMA 0.003914 0.40309 21.8182
Pocket No.: 2; Query (leader) PDB : 4U9W; Ligand: SER GLY ARG GLY LYS NH2; Similar sites found: 193
This union binding pocket(no: 2) in the query (biounit: 4u9w.bio4) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HDR NAD 0.02396 0.42355 None
2 3CQD ATP 0.01832 0.41967 None
3 1TDF FAD 0.03224 0.41571 None
4 3H86 AP5 0.04187 0.41408 None
5 4NAT 2W5 0.0269 0.41175 None
6 1ULE GLA GAL NAG 0.007429 0.40943 None
7 1BTN I3P 0.02941 0.40345 None
8 4FDV 0UK 0.03484 0.40131 None
9 4FR3 0V4 0.04426 0.42152 0.966184
10 4FR3 LYS ARG ARG LYS SEP VAL 0.04426 0.42152 0.966184
11 3DX5 DHB 0.006913 0.40495 0.966184
12 1BGQ RDC 0.02205 0.40449 0.966184
13 1YGC 905 0.014 0.40423 0.966184
14 1M5B BN1 0.004856 0.46279 1.44928
15 4W6Z 8ID 0.005613 0.44284 1.44928
16 1JIL 485 0.006446 0.41907 1.44928
17 3WBF API 0.02316 0.41072 1.44928
18 2GJ3 FAD 0.01996 0.41088 1.66667
19 1LL2 UPG 0.01164 0.4095 1.93237
20 3KJI ADP 0.007961 0.4092 1.93237
21 1QPB TPP 0.025 0.402 1.93237
22 1QPB PYM 0.0274 0.40018 1.93237
23 3ZS7 ATP 0.001705 0.44821 2.41546
24 2C7G FAD 0.01676 0.43552 2.41546
25 2BJK NAD 0.03876 0.41575 2.41546
26 1KOL NAD 0.02517 0.41214 2.41546
27 2X61 CH 0.02389 0.41009 2.41546
28 1R18 SAH 0.01253 0.40972 2.41546
29 5T0A A3P 0.007971 0.40357 2.41546
30 2JAR UMP 0.01391 0.40257 2.5
31 4O8A FAD 0.008546 0.42852 2.89855
32 1TIW FAD 0.0137 0.42664 2.89855
33 1TIW TFB 0.0137 0.42664 2.89855
34 4O1M NAD 0.01298 0.41891 2.89855
35 2CSN CKI 0.01151 0.41595 2.89855
36 3ZPG 5GP 0.008038 0.41521 2.89855
37 2BLE 5GP 0.04759 0.41481 2.89855
38 1RYI FAD 0.02905 0.41382 2.89855
39 4HA6 FAD 0.03162 0.41373 2.89855
40 3RFV NAI 0.01692 0.41107 2.89855
41 3HF3 FMN 0.0122 0.41024 2.89855
42 4PLG NAI 0.02927 0.41001 2.89855
43 4PLG OXM 0.02927 0.41001 2.89855
44 3RFV 15L 0.01743 0.40916 2.89855
45 1RYI GOA 0.04024 0.40863 2.89855
46 2PT9 2MH 0.0297 0.40671 2.89855
47 1Z45 NAD 0.0241 0.4065 2.89855
48 4OE4 NAD 0.02826 0.40387 2.89855
49 3FED BIX 0.01316 0.40175 2.89855
50 3UIE ANP 0.003959 0.41514 3
51 3UIE ADX 0.006246 0.41156 3
52 1H8G CHT 0.007216 0.4351 3.15789
53 1R37 NAD 0.00967 0.42956 3.17003
54 4M5P MLA 0.002985 0.4446 3.38164
55 2DTX BMA 0.01804 0.42193 3.38164
56 2XCG XCG 0.0113 0.42168 3.38164
57 3GEG NAD 0.01117 0.41931 3.38164
58 1DSS NAD 0.01031 0.41811 3.38164
59 1PR9 NAP 0.01693 0.41708 3.38164
60 3ICC NAP 0.01653 0.41644 3.38164
61 3RO7 TDR 0.01359 0.41542 3.38164
62 4DQ2 BTX 0.0199 0.40911 3.38164
63 3QP6 HL6 0.01012 0.40259 3.38164
64 4GYW UDP 0.03553 0.40198 3.38164
65 4F8L GAL 0.007803 0.43334 3.44828
66 9LDB NAD 0.004458 0.44155 3.86473
67 2J7T 274 0.006294 0.43204 3.86473
68 3F3E LEU 0.01201 0.42834 3.86473
69 2Q1S NAI 0.01612 0.42788 3.86473
70 1TRD PGH 0.0025 0.42612 3.86473
71 9LDT NAD 0.009691 0.426 3.86473
72 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.02084 0.41985 3.86473
73 2PWY SAH 0.009715 0.41625 3.86473
74 1OLS TDP 0.02919 0.41623 3.86473
75 3DAG FEG 0.01608 0.40936 3.86473
76 1JCM 137 0.02081 0.40822 3.86473
77 2Q2V NAD 0.02665 0.40786 3.86473
78 1IUP ALQ 0.02531 0.40551 3.86473
79 3IO3 ADP 0.01307 0.40376 3.86473
80 3Q9T FAY 0.04401 0.40246 3.86473
81 3U7Y FLC 0.004273 0.45454 4.34783
82 1R6D DAU 0.01442 0.4366 4.34783
83 1R6D NAD 0.02154 0.42873 4.34783
84 1R6W 164 0.00402 0.42199 4.34783
85 1D6H COA 0.02351 0.41997 4.34783
86 2DKH FAD 0.01497 0.41958 4.34783
87 3MAG 3MA 0.01159 0.41554 4.34783
88 2HGZ PBF 0.01091 0.41553 4.34783
89 1XHL NDP 0.02347 0.40935 4.34783
90 2HW1 ANP 0.01544 0.40405 4.34783
91 2XK9 XK9 0.03454 0.40361 4.34783
92 3R35 4CO 0.005506 0.43732 4.63576
93 1FIQ SAL 0.004712 0.4417 4.83092
94 1I7L ATP 0.003441 0.43639 4.83092
95 1FIQ FAD 0.0079 0.43366 4.83092
96 1C3V NDP 0.009524 0.42634 4.83092
97 2YPO PHE 0.01009 0.42394 4.83092
98 3WO0 ADP 0.02039 0.41647 4.83092
99 3WO0 ALA 0.02039 0.41647 4.83092
100 1Q0H NDP 0.04259 0.41052 4.83092
101 3PFG SAM 0.03394 0.40969 4.83092
102 3PFG TLO 0.03394 0.40969 4.83092
103 4B9E FAH 0.008478 0.40026 4.83092
104 2W3L DRO 0.01412 0.40367 4.86111
105 3BW2 FMN 0.03041 0.40181 4.87805
106 3QDY CBS 0.006452 0.40539 4.8951
107 3T2W BTN 0.0009997 0.44025 4.91803
108 4BAS GNP 0.007074 0.41907 5.02513
109 2ZWS PLM 0.006553 0.43728 5.31401
110 2IMP NAI 0.02977 0.43395 5.31401
111 2YC5 6BC 0.009136 0.43182 5.31401
112 3K3K A8S 0.005586 0.4218 5.31401
113 1UBY DMA 0.006505 0.41505 5.31401
114 2PTZ PAH 0.007478 0.41038 5.31401
115 2EFJ SAH 0.01125 0.40472 5.31401
116 1UXG NAD 0.04357 0.40267 5.31401
117 1UXG FUM 0.04357 0.40267 5.31401
118 4EKV BTN 0.02807 0.4068 5.66038
119 1V35 NAI 0.0172 0.42476 5.77508
120 3D3W NAP 0.009923 0.42552 5.7971
121 4RJK PYR 0.01172 0.42415 5.7971
122 1WUR 8DG 0.01154 0.41132 5.7971
123 4EPL JAI 0.007379 0.41063 5.7971
124 2V5E SCR 0.005201 0.43272 5.94059
125 3PVT 3HC 0.03337 0.40729 6.17761
126 2C31 TZD 0.01645 0.44452 6.28019
127 3QO8 SSA 0.002706 0.42938 6.28019
128 1VDC FAD 0.01809 0.42874 6.28019
129 2B4Q NAP 0.01184 0.42075 6.28019
130 3W54 RNB 0.003858 0.42051 6.28019
131 2RDT 2RD 0.04766 0.41825 6.28019
132 2OZE AGS 0.008632 0.41165 6.28019
133 1PL6 572 0.02598 0.40838 6.28019
134 2YGN PCF 0.01766 0.4115 6.41026
135 2GSD NAD 0.008143 0.43416 6.76329
136 2IXB NAD 0.007846 0.43023 6.76329
137 2IXB A2G 0.01151 0.43023 6.76329
138 1RYD NDP 0.02087 0.41699 6.76329
139 1LVL FAD 0.0285 0.41592 6.76329
140 2GDZ NAD 0.01995 0.41029 6.76329
141 1XX4 BAM 0.01473 0.4028 6.76329
142 1V7R CIT 0.0213 0.40244 6.98925
143 1MQ0 BRD 0.004657 0.41702 7.14286
144 1I36 NAP 0.01555 0.40554 7.24638
145 1U7Z PMT 0.03518 0.40219 7.52212
146 4USQ FAD 0.02123 0.41357 7.72947
147 4R33 SAH 0.0209 0.4128 7.72947
148 4R33 TRP 0.0209 0.4128 7.72947
149 2OWZ F6P 0.04342 0.40364 7.72947
150 1OAA OAA 0.02429 0.41928 8.21256
151 1ITZ TPP 0.0219 0.40041 8.21256
152 4JCA CIT 0.009612 0.41955 8.38323
153 3OND NAD 0.01944 0.42722 8.69565
154 3OND ADN 0.01944 0.42722 8.69565
155 1O9U ADZ 0.005736 0.4221 8.69565
156 4NES UD1 0.007899 0.41333 8.69565
157 4WX0 HXD 0.008815 0.4073 8.69565
158 3PY5 AMP 0.009565 0.40576 8.69565
159 1Y52 BTN 0.02571 0.41637 8.73016
160 1KDK DHT 0.005966 0.42407 9.03955
161 4QVH COA 0.002677 0.44682 9.17874
162 2P1O NLA 0.007506 0.42985 9.375
163 2P1O IHP 0.007506 0.42985 9.375
164 4BCS BTN 0.00288 0.42822 9.6
165 2E2R 2OH 0.03273 0.40471 9.66184
166 2R40 EPH 0.009353 0.42609 10.1449
167 4C0C WVH 0.0496 0.40498 10.1449
168 4GLJ RHB 0.03488 0.40129 10.1449
169 2R40 20E 0.02403 0.40004 10.1449
170 1YAG ATP 0.01797 0.40428 10.4
171 1OGZ EQU 0.008565 0.40343 10.4
172 2H6T IVA VAL VAL STA ALA STA 0.002593 0.43237 10.628
173 4KCF FMN 0.006806 0.41214 10.628
174 4KCF AKM 0.02154 0.40074 10.628
175 1SC3 MLI 0.009306 0.40502 10.6742
176 1F8F NAD 0.03014 0.4222 11.5942
177 4INB 1F6 0.002995 0.43368 11.6438
178 2ALG HP6 0.01373 0.40632 11.9565
179 2ALG DAO 0.01373 0.40632 11.9565
180 2B82 ADN 0.005852 0.42271 12.0773
181 2AE2 NAP 0.03207 0.41087 12.0773
182 2AE2 PTO 0.03207 0.41087 12.0773
183 4IAE 1DX 0.01133 0.44211 12.1693
184 4NVP 7CH 0.03454 0.40463 12.5604
185 3A2Q ACA ACA 0.01188 0.40368 12.5604
186 3AHC TPP 0.01678 0.41377 13.0435
187 1A59 COA 0.01066 0.40764 13.5266
188 3S9K CIT 0.005249 0.45842 14.4068
189 4PO2 ASN ARG LEU LEU LEU THR GLY 0.005719 0.42488 14.8936
190 1SS4 GSH 0.009914 0.43129 18.9542
191 1R27 MGD 0.002731 0.45751 20.2899
192 3LPF Z77 0.02315 0.40353 23.6715
193 2P8O BVA 0.01372 0.40096 38.4615
Pocket No.: 3; Query (leader) PDB : 4U9W; Ligand: COA; Similar sites found: 135
This union binding pocket(no: 3) in the query (biounit: 4u9w.bio4) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1C1L GAL BGC 0.005361 0.42801 None
2 2JDC CAO 0.003741 0.4142 None
3 3CQD ATP 0.005477 0.41025 None
4 1V2X SAM 0.001924 0.4038 None
5 1ECM TSA 0.007081 0.40059 None
6 1P9B IMO 0.003918 0.4 None
7 4PPF FLC 0.003309 0.46537 0.966184
8 1CM0 COA 0.0005371 0.49226 1.19048
9 3B1F NAD 0.000353 0.4335 1.93237
10 1V1A ADP 0.003929 0.4059 1.93237
11 2HV8 GTP 0.0009651 0.42173 2.32558
12 1WGC SIA GAL BGC 0.03917 0.40603 2.33918
13 2X61 CH 0.003109 0.42174 2.41546
14 1KOL NAD 0.00327 0.41762 2.41546
15 1TB4 PEJ 0.003318 0.40996 2.41546
16 2X61 NGA GAL SIA 0.01445 0.40907 2.41546
17 1X1T NAD 0.02354 0.40768 2.41546
18 5T0A A3P 0.0002927 0.40508 2.41546
19 4KQI NIO 0.005129 0.4043 2.41546
20 4KQI RBZ 0.005129 0.4043 2.41546
21 2NLI LAC 0.01648 0.40246 2.41546
22 2NLI FMN 0.01648 0.40246 2.41546
23 2OYS FMN 0.002471 0.40191 2.41546
24 3RF4 FUN 0.009087 0.40099 2.58621
25 1Y9Q MED 0.006362 0.41839 2.60417
26 4PLG NAI 0.0008857 0.44024 2.89855
27 4PLG OXM 0.0008857 0.44024 2.89855
28 2JFV FLC 0.002297 0.43791 2.89855
29 2F2U M77 0.003398 0.40834 2.89855
30 1MZV AMP 0.003668 0.40706 2.89855
31 1ZFJ IMP 0.009553 0.40683 2.89855
32 4OE4 NAD 0.005276 0.40321 2.89855
33 3UIE ADX 0.0008927 0.40118 3
34 1JN2 SFP 0.003183 0.49312 3.38164
35 3BHO B4P 0.00204 0.47304 3.38164
36 4DQ2 BTX 0.0003873 0.44265 3.38164
37 4IOK ADP 0.0005303 0.43446 3.38164
38 1ECC PCP 0.0007071 0.42475 3.38164
39 1LTH NAD 0.008519 0.41538 3.38164
40 1JI0 ATP 0.04241 0.4116 3.38164
41 2R5T ANP 0.0003138 0.40803 3.38164
42 1DSS NAD 0.002688 0.40745 3.38164
43 3RO7 TDR 0.003918 0.40453 3.38164
44 4F8L GAL 0.002896 0.47556 3.44828
45 4H6U ACO 0.00096 0.45833 3.5
46 3LRE ADP 0.02183 0.42684 3.86473
47 3B5J 12D 0.02573 0.42362 3.86473
48 1NW5 SAM 0.001228 0.41057 3.86473
49 2J7T 274 0.003125 0.40953 3.86473
50 1IUP ALQ 0.003583 0.40873 3.86473
51 3JQ3 ADP 0.003981 0.40569 3.86473
52 4CCO OGA 0.007487 0.40446 3.86473
53 1Z44 FMN 0.002582 0.40362 3.86473
54 1SNY NAP 0.004006 0.40273 3.86473
55 2OFE NAG 0.004968 0.42313 4.22535
56 1WRA PC 0.008373 0.41913 4.34783
57 1D6H COA 0.005176 0.41717 4.34783
58 2XK9 XK9 0.003176 0.41576 4.34783
59 3NKS FAD 0.004192 0.41465 4.34783
60 1R6D DAU 0.01099 0.41097 4.34783
61 2HGZ PBF 0.002012 0.41034 4.34783
62 2XT3 ADP 0.04677 0.4097 4.34783
63 2QLX RM4 0.001976 0.44787 4.62963
64 2Q97 ATP 0.001499 0.41138 4.65116
65 5FVJ ACO 0.001376 0.43472 4.81928
66 2CBZ ATP 0.006047 0.4622 4.83092
67 1FIQ FAD 0.001211 0.43143 4.83092
68 1I7L ATP 0.0008952 0.42112 4.83092
69 1E7S NAP 0.002246 0.41887 4.83092
70 1SQ5 PAU 0.004185 0.41486 4.83092
71 2YPO PHE 0.004878 0.40381 4.83092
72 3BW2 FMN 0.004563 0.40488 4.87805
73 3QDY A2G GAL 0.003855 0.44179 4.8951
74 3BY8 MLT 0.008933 0.41784 4.92958
75 1N71 COA 0.00006344 0.51617 5
76 1JUV NDP 0.003586 0.40447 5.18135
77 1MDZ DCS 0.00205 0.42163 5.31401
78 1MDZ PLP 0.00197 0.42098 5.31401
79 1GJW GLC 0.01106 0.41357 5.31401
80 3MB5 SAM 0.01295 0.40662 5.31401
81 2PTZ PAH 0.0009651 0.40547 5.31401
82 3I0O ADP 0.004668 0.40302 5.31401
83 2NX1 PEP 0.004747 0.4015 5.31401
84 3O03 NAP 0.02313 0.4008 5.31401
85 4NTD FAD 0.003845 0.41715 5.7971
86 1DR1 HBI 0.0009715 0.43872 5.82011
87 1DR1 NAP 0.0009715 0.43872 5.82011
88 4AG9 COA 0.001906 0.47457 6.06061
89 1QO0 BMD 0.006746 0.41726 6.12245
90 3ZZS TRP 0.004866 0.40998 6.15385
91 1JJ7 ADP 0.008808 0.45344 6.28019
92 1WDA BAG 0.001478 0.42767 6.28019
93 2XDQ MGX 0.01289 0.42366 6.28019
94 1B9I PXG 0.0027 0.40411 6.28019
95 2C31 ADP 0.03181 0.40222 6.28019
96 2C31 TZD 0.03275 0.40222 6.28019
97 3FC2 IBI 0.00281 0.41261 6.76329
98 1UF5 CDT 0.003378 0.40844 6.76329
99 2HMT NAI 0.01144 0.40717 6.94444
100 4AVB ACO 0.003066 0.42617 7.24638
101 2IYG FMN 0.003623 0.40265 7.25806
102 1U7Z PMT 0.0003722 0.44922 7.52212
103 4PSW COA 0.003252 0.44927 7.72947
104 1TUF AZ1 0.0004895 0.43225 7.72947
105 3RC3 ANP 0.02497 0.4202 7.72947
106 4AG5 ADP 0.0337 0.41856 7.72947
107 4R33 TRP 0.00799 0.40075 7.72947
108 4R33 SAH 0.00799 0.40075 7.72947
109 2HFK E4H 0.001292 0.43585 7.83699
110 1YQT ADP 0.01809 0.43362 8.21256
111 5E5U MLI 0.01885 0.41863 8.21256
112 1GEX PLP HSA 0.00351 0.40328 8.21256
113 1QJC PNS 0.01402 0.40711 8.22785
114 2F5X ASP 0.04812 0.41087 8.33333
115 1KDK DHT 0.001145 0.41551 9.03955
116 3SXN COA 0.002233 0.44187 9.17874
117 5K04 COA 0.000239 0.48122 9.41177
118 3PJU C2E 0.001376 0.4195 9.66184
119 3NCQ ATP 0.001836 0.40643 9.66184
120 2R40 EPH 0.0001722 0.4579 10.1449
121 4WZ6 ATP 0.007513 0.45533 11.1111
122 1EP2 FMN 0.003818 0.40495 11.1111
123 2ALG HP6 0.00102 0.41537 11.9565
124 2ALG DAO 0.00102 0.41537 11.9565
125 2DT9 THR 0.02956 0.41625 11.976
126 3VTF UPG 0.0007628 0.40101 12.0773
127 4IAE 1DX 0.01039 0.41001 12.1693
128 4DYO SD4 0.005262 0.40573 15.4589
129 4R2I ANP 0.00251 0.47895 18.3575
130 1SS4 CIT 0.0004471 0.54166 18.9542
131 4XPL ACO 0.0241 0.40372 19.6319
132 1WWZ ACO 0.0002253 0.4635 20.7547
133 1XPJ TLA 0.013 0.46325 22.2222
134 4QC6 30N 0.0005882 0.46398 26.257
135 3AB4 THR 0.04477 0.40649 28.5024
Pocket No.: 4; Query (leader) PDB : 4U9W; Ligand: COA; Similar sites found: 65
This union binding pocket(no: 4) in the query (biounit: 4u9w.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4KVX ACO 0.00000000007474 0.7159 None
2 3R96 AMP 0.000002185 0.55523 None
3 3R96 ACO 0.000002185 0.55523 None
4 1PUA COA 0.00001273 0.47687 None
5 1VJE MSE 0.03344 0.40433 None
6 4NSQ COA 0.000001 0.51102 1.05263
7 3BIY 01K 0.0001488 0.45641 1.44928
8 5W8E ADE 0.006056 0.4058 1.93237
9 5W8E SXZ 0.006473 0.4058 1.93237
10 4RI1 ACO 0.0000004002 0.53683 2.15054
11 5H86 BCO 0.00000002388 0.62026 2.38095
12 1KUV CA5 0.0000001441 0.59513 2.89855
13 3ZJ0 ACO 0.0000000007504 0.67257 3.39806
14 4B5P ACO 0.0000000876 0.59492 3.5
15 2Q4V ACO 0.00000000000671 0.75801 3.52941
16 1CJW COT 0.000002474 0.53835 3.61446
17 4KOT CE3 0.00000001144 0.65309 3.7037
18 2ZW5 COA 0.000002033 0.54634 3.86473
19 4C2X NHW 0.0000206 0.51852 3.86473
20 2FT0 ACO 0.000002958 0.48681 3.86473
21 4C2Z MYA 0.00001923 0.42344 3.86473
22 3DSK T25 0.02335 0.40191 3.86473
23 2IL4 COA 0.00001507 0.45961 3.8835
24 1YRE COA 0.00001558 0.46786 4.06091
25 3F8K COA 0.000000237 0.56573 4.375
26 3TE4 ACO 0.00000008177 0.57743 4.83092
27 1IYK MYA 0.00001332 0.51412 4.83092
28 5LKT BCO 0.0002705 0.44566 4.83092
29 2FAH MLA 0.02619 0.40898 4.83092
30 3K8L CEY 0.01751 0.40319 4.83092
31 2XXP DSL 0.02979 0.40166 4.83092
32 2YNE NHW 0.0001066 0.5213 5.31401
33 2YNE YNE 0.0001066 0.5213 5.31401
34 2VZZ SCA 0.000008013 0.51954 5.31401
35 2YNC YNC 0.00001816 0.51506 5.31401
36 2ZFN ACO 0.00001508 0.50039 5.31401
37 3CZ7 ACO 0.00006633 0.4766 5.31401
38 2WSA MYA 0.00007848 0.52678 5.7971
39 2WSA 646 0.00007848 0.52678 5.7971
40 1IID NHM 0.0001484 0.48209 5.7971
41 4OPC FDA 0.03153 0.41193 5.7971
42 1P0H COA 0.00000004043 0.66204 6.28019
43 1P0H ACO 0.00000004291 0.66204 6.28019
44 5FJJ MAN 0.02015 0.43444 7.24638
45 1BOB ACO 0.00000004115 0.59631 7.72947
46 4UWJ 7L5 0.0000881 0.51324 7.72947
47 4UWJ MYA 0.0000881 0.51324 7.72947
48 1N13 AG2 0.02649 0.40907 7.9646
49 3W5J GDP 0.03593 0.4015 8.33333
50 2CNT COA 0.0000000001756 0.68888 9.375
51 5KTC COA 0.00002867 0.42741 9.57447
52 5KTC FUH 0.00002867 0.42741 9.57447
53 1UWC FER 0.02281 0.40632 10.628
54 1BO4 COA 0.0000169 0.43525 11.9048
55 5HGZ ACO 0.000000000008442 0.75055 12.0773
56 3B6C SDN 0.02861 0.40533 12.5604
57 1QSM ACO 0.0000000002947 0.69193 13.8158
58 1I1D COA 0.0000000007631 0.66362 14.2857
59 1I1D 16G 0.00000004016 0.618 14.2857
60 1TIQ COA 0.00000000006075 0.62125 16.1111
61 2B4B COA 0.00000001435 0.5879 19.883
62 2B4D COA 0.00000002162 0.58109 19.883
63 2JEV NHQ 0.000002304 0.58334 20.1149
64 5GK9 ACO 0.00000002425 0.61747 22
65 3K9U ACO 0.000000002943 0.70496 31.4465
Pocket No.: 5; Query (leader) PDB : 4U9W; Ligand: COA; Similar sites found: 107
This union binding pocket(no: 5) in the query (biounit: 4u9w.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QV7 ADP 0.0009798 0.41741 None
2 1RKD ADP 0.002572 0.41096 None
3 1RKD RIB 0.002572 0.41096 None
4 1P9B GDP 0.0006848 0.40541 None
5 1UQX MMA 0.00213 0.40362 None
6 1RZM E4P 0.01266 0.41366 0.966184
7 4FR3 LYS ARG ARG LYS SEP VAL 0.01937 0.40616 0.966184
8 4IXW IXW 0.0006347 0.44559 1.44928
9 3DG6 MUC 0.0004948 0.43299 1.44928
10 1U5R ATP 0.0007395 0.42176 1.44928
11 1QPB PYM 0.0003632 0.43348 1.93237
12 1WVC CTP 0.02036 0.41098 1.93237
13 1ZGA HMK 0.0002561 0.40558 1.93237
14 1QPB TPP 0.002731 0.40306 1.93237
15 3GJB AKG 0.007365 0.4028 1.93237
16 1JH7 UVC 0.01141 0.40465 2.1164
17 1OGD RIP 0.002584 0.42656 2.29008
18 2B7N NTM 0.003193 0.42846 2.41546
19 1BDB NAD 0.008962 0.42013 2.41546
20 2V7T SAH 0.01434 0.41913 2.41546
21 3GTD MLI 0.00669 0.41464 2.41546
22 2C7G ODP 0.01186 0.40633 2.41546
23 1QZZ SAM 0.001092 0.4204 2.89855
24 2PT9 S4M 0.001494 0.41056 2.89855
25 3VPD ANP 0.0009826 0.40963 2.89855
26 1B0U ATP 0.002173 0.40509 2.89855
27 3LST SAH 0.0003654 0.40465 2.89855
28 4QDC ASD 0.003154 0.40163 2.89855
29 2PR5 FMN 0.0006622 0.41441 3.0303
30 3A2Y TS5 0.0009675 0.41313 3.04569
31 2F59 INI 0.0009999 0.40839 3.18471
32 1GU3 BGC BGC BGC BGC BGC 0.006066 0.41115 3.3557
33 1CKM GTP 0.001989 0.42567 3.38164
34 1IYE PGU 0.003839 0.40348 3.38164
35 4K5S PM0 0.01158 0.40295 3.38164
36 3SSO SAH 0.001799 0.4008 3.38164
37 3GM5 CIT 0.002973 0.43602 3.77358
38 1V5F TPP 0.02262 0.42633 3.86473
39 1V5F FAD 0.02262 0.42633 3.86473
40 1Z44 NPO 0.03294 0.4203 3.86473
41 1Z48 FMN 0.0009269 0.41827 3.86473
42 3NYQ MCA 0.004678 0.40169 3.86473
43 4JWX 1N4 0.0105 0.40122 3.86473
44 1T57 FMN 0.0004586 0.42273 3.8835
45 3FW3 GLC 0.02987 0.42965 4.34783
46 3U7Y FLC 0.03669 0.41966 4.34783
47 2QCX PF1 0.007788 0.4118 4.34783
48 3RK0 AMP 0.00306 0.40843 4.34783
49 3EE4 MYR 0.001133 0.40755 4.34783
50 2HW1 ANP 0.00127 0.40589 4.34783
51 1IM8 SAI 0.0016 0.40251 4.34783
52 3K9W 4PS 0.04569 0.40036 4.81283
53 3K9W ADE 0.04569 0.40036 4.81283
54 2CKM AA7 0.001246 0.43291 4.83092
55 3WO0 ADP 0.002893 0.41398 4.83092
56 3WO0 ALA 0.002893 0.41398 4.83092
57 1SQ5 ADP 0.002915 0.40923 4.83092
58 3SHR CMP 0.004248 0.40759 4.83092
59 1JA9 PYQ 0.002743 0.40592 4.83092
60 2YYJ 4HP 0.03129 0.40236 4.83092
61 2YYJ FAD 0.03129 0.40236 4.83092
62 2WCV FUC 0.0001819 0.40322 5
63 1P72 ADP 0.001561 0.41735 5.31401
64 1KTC NGA 0.004793 0.41541 5.31401
65 2VAR KDG 0.002341 0.41283 5.31401
66 1TOI HCI 0.002735 0.40597 5.31401
67 1I2L DCS 0.001175 0.40092 5.31401
68 1DXY COI 0.02152 0.41522 5.7971
69 1WUR 8DG 0.00125 0.408 5.7971
70 3ZF8 GDP 0.006556 0.40024 5.7971
71 3PNA CMP 0.0002053 0.40051 5.84416
72 3PVT 3HC 0.004992 0.40646 6.17761
73 2ZJ3 G6P 0.0003475 0.42266 6.28019
74 1FP2 SAH 0.0001987 0.41338 6.28019
75 1Y42 TYR 0.008973 0.40407 6.28019
76 1XE7 GUN 0.001498 0.47334 6.40394
77 4OB6 S2T 0.000672 0.42324 6.76329
78 1PX8 XYP 0.005086 0.41977 6.76329
79 3SIX GDP 0.00231 0.41305 6.76329
80 1KYQ NAD 0.001247 0.40516 6.76329
81 1HYE NAP 0.0003746 0.40166 6.76329
82 4C0X AQN 0.003527 0.40479 6.89655
83 1N6B DMZ 0.001623 0.42428 6.97674
84 1MQ0 BRD 0.0003398 0.40251 7.14286
85 4GO7 THR 0.0004072 0.44723 8
86 2O2C G6Q 0.002215 0.4048 8.21256
87 1Y8O ADP 0.0001335 0.40449 8.59375
88 3NOJ PYR 0.003508 0.42382 8.69565
89 2WGC SIA GAL BGC 0.0494 0.41044 8.77193
90 2BNE U5P 0.004684 0.4035 9.17874
91 4OYA 1VE 0.01354 0.42374 9.66184
92 3O2K QRP 0.00351 0.41082 9.66184
93 1T10 F6P 0.007988 0.41133 10.1449
94 4C0C WVH 0.006646 0.40872 10.1449
95 4KCF FMN 0.005756 0.4042 10.628
96 2ZYF AKG 0.007097 0.40345 10.628
97 1F8F NAD 0.007323 0.41442 11.5942
98 1UOU CMU 0.002175 0.40943 11.5942
99 4INB 1F6 0.0005926 0.41494 11.6438
100 3A2Q ACA ACA 0.000381 0.41317 12.5604
101 2FR6 URI 0.00091 0.40976 13.0137
102 1E4E PHY 0.002926 0.40049 13.5266
103 3IU9 T07 0.01181 0.4085 14.4928
104 4PO2 ASN ARG LEU LEU LEU THR GLY 0.001381 0.40654 14.8936
105 4JEJ 1GP 0.0008618 0.42921 14.9758
106 1EYE PMM 0.004204 0.40322 16.4251
107 1R27 MGD 0.006123 0.40214 20.2899
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