Receptor
PDB id Resolution Class Description Source Keywords
1P8R 2.5 Å EC: 3.5.3.1 STRUCTURAL AND FUNCTIONAL IMPORTANCE OF FIRST-SHELL METAL LI THE BINUCLEAR MANGANESE CLUSTER OF ARGINASE I. RATTUS NORVEGICUS HYDROLASE UREA CYCLE ARGININE METABOLISM BINUCLEAR MANGANCLUSTER
Ref.: STRUCTURAL AND FUNCTIONAL IMPORTANCE OF FIRST-SHELL LIGANDS IN THE BINUCLEAR MANGANESE CLUSTER OF ARGIN BIOCHEMISTRY V. 42 7748 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:601;
A:602;
B:603;
B:604;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
MN A:500;
A:501;
B:502;
B:503;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
S2C A:551;
B:552;
Valid;
Valid;
none;
none;
submit data
210.036 C5 H13 B N O5 S [B-](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1D3V 1.7 Å EC: 3.5.3.1 CRYSTAL STRUCTURE OF THE BINUCLEAR MANGANESE METALLOENZYME ARGINASE COMPLEXED WITH 2(S)-AMINO-6-BORONOHEXANOIC ACID, A N L-ARGININE ANALOG RATTUS NORVEGICUS BINUCLEAR MANGANESE CLUSTER BORONIC ACID INHIBITOR PERFECTLY TWINNED CRYSTAL HYDROLASE
Ref.: ARGINASE-BORONIC ACID COMPLEX HIGHLIGHTS A PHYSIOLOGICAL ROLE IN ERECTILE FUNCTION. NAT.STRUCT.BIOL. V. 6 1043 1999
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1T5G - ARG C6 H15 N4 O2 C(C[C@@H](....
2 1D3V Kd = 0.11 uM ABH C6 H15 B N O5 [B-](CCCC[....
3 1HQG - ORN C5 H12 N2 O2 C(C[C@@H](....
4 1T4T ic50 < 400 uM DIR C4 H10 N4 O3 C([C@@H](C....
5 1T5F Ki ~ 60 uM DHH C7 H15 N O4 C(CCC(O)O)....
6 1P8R - S2C C5 H13 B N O5 S [B-](CCSC[....
7 1HQ5 Kd = 2.22 uM S2C C5 H13 B N O5 S [B-](CCSC[....
8 3E9B Ki = 4500 nM S2C C5 H13 B N O5 S [B-](CCSC[....
70% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3SKK - 4U7 C7 H15 B F2 N O5 [B-](CCCC[....
2 3GN0 Ki = 3.9 mM DMO C6 H12 F2 N2 O2 C(CC(C(F)F....
3 1WVA Kd = 270 nM S2C C5 H13 B N O5 S [B-](CCSC[....
4 3KV2 Kd = 47.51 nM NNH C5 H12 N4 O3 [H]/N=C(/N....
5 2PHO Kd > 0.1 mM TSZ C H5 N3 S C(=S)(N)NN
6 4IE1 - 1EC C9 H21 B N O6 [B-](CCCC[....
7 3MFW Ki = 300 uM B3U C6 H10 N4 O2 c1c([nH]c(....
8 3LP4 Kd = 13100 nM LYS C6 H15 N2 O2 C(CC[NH3+]....
9 3GMZ - ORN C5 H12 N2 O2 C(C[C@@H](....
10 4GSZ - ABH C6 H15 B N O5 [B-](CCCC[....
11 3SJT - 5AB C7 H17 B N O5 [B-](CCCC[....
12 2PLL Kd = 5 nM ABH C6 H15 B N O5 [B-](CCCC[....
13 3MFV Ki = 3000 uM Z70 C7 H12 N4 O2 c1c([nH]c(....
14 4GSV - ABH C6 H15 B N O5 [B-](CCCC[....
15 3DJ8 - EXY C8 H15 N O3 C1[C@H](O1....
16 1WVB - S2C C5 H13 B N O5 S [B-](CCSC[....
17 4HWW ic50 = 1450 nM X7A C13 H28 B N2 O5 [B-](CCCC[....
18 3E6V Kd = 147 nM ABH C6 H15 B N O5 [B-](CCCC[....
19 3THH - ABH C6 H15 B N O5 [B-](CCCC[....
20 3LP7 Kd = 3600 nM HAR C6 H14 N4 O3 C(C[C@@H](....
21 2AEB Kd = 5 nM ABH C6 H15 B N O5 [B-](CCCC[....
22 3THJ - ORN C5 H12 N2 O2 C(C[C@@H](....
23 3F80 Kd = 60 uM 6HN C6 H12 N2 O4 C(CC[N+](=....
24 3E6K Kd = 7000 nM ABH C6 H15 B N O5 [B-](CCCC[....
25 4HXQ ic50 = 60 nM X8A C14 H30 B N2 O5 [B-](CCCC[....
26 4GWD - ABH C6 H15 B N O5 [B-](CCCC[....
27 4I06 ic50 = 67 nM X8A C14 H30 B N2 O5 [B-](CCCC[....
28 4IXV ic50 = 240 nM XA1 C18 H29 B Cl N2 O5 [B-](CCCC[....
29 4IE3 ic50 = 980 nM 1EE C13 H28 B N2 O6 [B-](CCCC[....
30 4IE2 ic50 = 4500 nM 1EC C9 H21 B N O6 [B-](CCCC[....
31 4HZE ic50 = 1920 nM X7A C13 H28 B N2 O5 [B-](CCCC[....
32 4IXU ic50 = 290 nM 38I C20 H30 B Cl2 N2 O5 [B-](CCCC[....
33 1T5G - ARG C6 H15 N4 O2 C(C[C@@H](....
34 1D3V Kd = 0.11 uM ABH C6 H15 B N O5 [B-](CCCC[....
35 1HQG - ORN C5 H12 N2 O2 C(C[C@@H](....
36 1T4T ic50 < 400 uM DIR C4 H10 N4 O3 C([C@@H](C....
37 1T5F Ki ~ 60 uM DHH C7 H15 N O4 C(CCC(O)O)....
38 1P8R - S2C C5 H13 B N O5 S [B-](CCSC[....
39 1HQ5 Kd = 2.22 uM S2C C5 H13 B N O5 S [B-](CCSC[....
40 3E9B Ki = 4500 nM S2C C5 H13 B N O5 S [B-](CCSC[....
50% Homology Family (53)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4Q3S Kd = 0.26 uM X7A C13 H28 B N2 O5 [B-](CCCC[....
2 4Q42 - ORN C5 H12 N2 O2 C(C[C@@H](....
3 4Q40 - VAL C5 H11 N O2 CC(C)[C@@H....
4 4Q3U Kd = 0.36 uM NNH C5 H12 N4 O3 [H]/N=C(/N....
5 4Q41 - LYS C6 H15 N2 O2 C(CC[NH3+]....
6 4Q3Q Kd = 1.3 uM ABH C6 H15 B N O5 [B-](CCCC[....
7 4Q3T Kd = 0.33 uM HAR C6 H14 N4 O3 C(C[C@@H](....
8 3SKK - 4U7 C7 H15 B F2 N O5 [B-](CCCC[....
9 3GN0 Ki = 3.9 mM DMO C6 H12 F2 N2 O2 C(CC(C(F)F....
10 1WVA Kd = 270 nM S2C C5 H13 B N O5 S [B-](CCSC[....
11 3KV2 Kd = 47.51 nM NNH C5 H12 N4 O3 [H]/N=C(/N....
12 2PHO Kd > 0.1 mM TSZ C H5 N3 S C(=S)(N)NN
13 4IE1 - 1EC C9 H21 B N O6 [B-](CCCC[....
14 3MFW Ki = 300 uM B3U C6 H10 N4 O2 c1c([nH]c(....
15 3LP4 Kd = 13100 nM LYS C6 H15 N2 O2 C(CC[NH3+]....
16 3GMZ - ORN C5 H12 N2 O2 C(C[C@@H](....
17 4GSZ - ABH C6 H15 B N O5 [B-](CCCC[....
18 3SJT - 5AB C7 H17 B N O5 [B-](CCCC[....
19 2PLL Kd = 5 nM ABH C6 H15 B N O5 [B-](CCCC[....
20 3MFV Ki = 3000 uM Z70 C7 H12 N4 O2 c1c([nH]c(....
21 4GSV - ABH C6 H15 B N O5 [B-](CCCC[....
22 3DJ8 - EXY C8 H15 N O3 C1[C@H](O1....
23 1WVB - S2C C5 H13 B N O5 S [B-](CCSC[....
24 4HWW ic50 = 1450 nM X7A C13 H28 B N2 O5 [B-](CCCC[....
25 3E6V Kd = 147 nM ABH C6 H15 B N O5 [B-](CCCC[....
26 3THH - ABH C6 H15 B N O5 [B-](CCCC[....
27 3LP7 Kd = 3600 nM HAR C6 H14 N4 O3 C(C[C@@H](....
28 2AEB Kd = 5 nM ABH C6 H15 B N O5 [B-](CCCC[....
29 3THJ - ORN C5 H12 N2 O2 C(C[C@@H](....
30 3F80 Kd = 60 uM 6HN C6 H12 N2 O4 C(CC[N+](=....
31 3E6K Kd = 7000 nM ABH C6 H15 B N O5 [B-](CCCC[....
32 4HXQ ic50 = 60 nM X8A C14 H30 B N2 O5 [B-](CCCC[....
33 4GWD - ABH C6 H15 B N O5 [B-](CCCC[....
34 4I06 ic50 = 67 nM X8A C14 H30 B N2 O5 [B-](CCCC[....
35 4IXV ic50 = 240 nM XA1 C18 H29 B Cl N2 O5 [B-](CCCC[....
36 4IE3 ic50 = 980 nM 1EE C13 H28 B N2 O6 [B-](CCCC[....
37 4IE2 ic50 = 4500 nM 1EC C9 H21 B N O6 [B-](CCCC[....
38 4HZE ic50 = 1920 nM X7A C13 H28 B N2 O5 [B-](CCCC[....
39 4IXU ic50 = 290 nM 38I C20 H30 B Cl2 N2 O5 [B-](CCCC[....
40 4IU4 Ki ~ 10 uM S2C C5 H13 B N O5 S [B-](CCSC[....
41 4IU1 Ki ~ 50 uM NNH C5 H12 N4 O3 [H]/N=C(/N....
42 4IU5 - ORN C5 H12 N2 O2 C(C[C@@H](....
43 4IU0 Ki = 1.3 uM ABH C6 H15 B N O5 [B-](CCCC[....
44 1T5G - ARG C6 H15 N4 O2 C(C[C@@H](....
45 1D3V Kd = 0.11 uM ABH C6 H15 B N O5 [B-](CCCC[....
46 1HQG - ORN C5 H12 N2 O2 C(C[C@@H](....
47 1T4T ic50 < 400 uM DIR C4 H10 N4 O3 C([C@@H](C....
48 1T5F Ki ~ 60 uM DHH C7 H15 N O4 C(CCC(O)O)....
49 1P8R - S2C C5 H13 B N O5 S [B-](CCSC[....
50 1HQ5 Kd = 2.22 uM S2C C5 H13 B N O5 S [B-](CCSC[....
51 3E9B Ki = 4500 nM S2C C5 H13 B N O5 S [B-](CCSC[....
52 5CEV - LYS C6 H15 N2 O2 C(CC[NH3+]....
53 3CEV - ARG C6 H15 N4 O2 C(C[C@@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: S2C; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 S2C 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1D3V; Ligand: ABH; Similar sites found: 368
This union binding pocket(no: 1) in the query (biounit: 1d3v.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KPE TM3 0.00003738 0.53266 None
2 2QLX RM4 0.005218 0.44081 None
3 2XBP ATP 0.0003618 0.43587 None
4 2E1A MSE 0.009247 0.40779 None
5 4AF5 CIT 0.02653 0.40191 None
6 1JCM 137 0.000006568 0.44595 1.1583
7 3D3W NAP 0.001474 0.40183 1.22951
8 3VCA PRO 0.01343 0.4079 1.23839
9 1Q11 TYE 0.001677 0.4443 1.54799
10 4C2G ALA ALA ALA ALA 0.005548 0.41702 1.54799
11 4IVG ANP 0.001914 0.41497 1.54799
12 1KYZ SAH 0.002058 0.40767 1.54799
13 1DFO PLG 0.009661 0.40642 1.54799
14 1WRA PC 0.003563 0.44869 1.62338
15 3E5H GNP 0.0003516 0.41403 1.68539
16 1Q6O LG6 0.002019 0.41607 1.85185
17 4HZX G39 0.00006705 0.4524 1.85759
18 2Z9V PXM 0.0032 0.43228 1.85759
19 9LDB OXM 0.02101 0.43147 1.85759
20 1CKM GTP 0.002962 0.42834 1.85759
21 9LDT OXM 0.03333 0.42059 1.85759
22 1PEA ACM 0.01847 0.42057 1.85759
23 1LDM OXM 0.005338 0.41301 1.85759
24 3GTD MLI 0.01213 0.41233 1.85759
25 2CE7 ADP 0.004313 0.40794 1.85759
26 4A8H PUW 0.0001453 0.40053 1.85759
27 3P7I P7I 0.003992 0.42816 1.86916
28 4AIG FLX 0.002423 0.42683 1.99005
29 4N69 SER 0.01418 0.41449 2.0979
30 3IHB TRS 0.02718 0.45602 2.16718
31 1Z42 HBA 0.01107 0.45397 2.16718
32 3HZL 6PC 0.007785 0.44653 2.16718
33 4E28 9MZ 0.009065 0.42343 2.16718
34 1ZFJ IMP 0.006618 0.41957 2.16718
35 4M51 BEZ 0.02184 0.41695 2.16718
36 1WTC ACP 0.02214 0.41085 2.16718
37 2Q09 DI6 0.007878 0.41069 2.16718
38 3IHB GLU 0.02377 0.40937 2.16718
39 3LST SAH 0.005257 0.40885 2.16718
40 4WVH ASP HIS ASP ALA HIS ALA 0.009302 0.40768 2.16718
41 1GPJ CIT 0.02642 0.40199 2.16718
42 1X8X TYR 0.003365 0.42108 2.17391
43 1WKL ATP 0.001475 0.41273 2.18978
44 3GJB AKG 0.004964 0.41903 2.19436
45 3OIG NAD 0.0002913 0.44962 2.25564
46 4N7C AEF 0.005992 0.43795 2.27273
47 4B9E FAH 0.02912 0.40512 2.32558
48 2JFV FLC 0.01436 0.41423 2.4055
49 1T3D CYS 0.002241 0.45825 2.42215
50 2NLI LAC 0.0001458 0.4526 2.47678
51 2NLI FMN 0.0001458 0.4526 2.47678
52 2BO4 FLC 0.006191 0.43728 2.47678
53 1E5F PLP 0.001248 0.42378 2.47678
54 2IMP NAI 0.004323 0.41925 2.47678
55 2IZ1 ATR 0.01212 0.41762 2.47678
56 4DQ2 BTX 0.000314 0.41694 2.47678
57 1KTC NGA 0.007817 0.41564 2.47678
58 1H16 PYR 0.02321 0.41563 2.47678
59 4QCK ASD 0.0002439 0.4152 2.47678
60 1FIQ SAL 0.001016 0.40557 2.47678
61 1FIQ MTE 0.0008874 0.40457 2.47678
62 3DER ALA LYS 0.001876 0.40164 2.47678
63 2PT9 2MH 0.0009812 0.40869 2.49221
64 1Y9Q MED 0.01635 0.41163 2.60417
65 1G8S MET 0.005663 0.43281 2.6087
66 5EQU AKG 0.0196 0.41929 2.62295
67 2P41 SAH 0.001001 0.41862 2.62295
68 3Q3C NAD 0.001381 0.42148 2.67559
69 3WCS MAN NAG 0.001615 0.44499 2.75591
70 4I9A NCN 0.000005943 0.4452 2.77778
71 3K3G MMU 0.00006656 0.50826 2.78638
72 1LL2 UPG 0.00004844 0.45435 2.78638
73 3K5X P8D 0.002662 0.42518 2.78638
74 2RCN GDP 0.003751 0.41918 2.78638
75 1P9B HDA 0.008919 0.41826 2.78638
76 2W8Q SIN 0.02006 0.41291 2.78638
77 1QW9 KHP 0.0002986 0.41255 2.78638
78 3CXO 3LR 0.0004481 0.4122 2.78638
79 2YVF FAD 0.004443 0.40949 2.78638
80 3CXO 1N5 0.0007236 0.40876 2.78638
81 1VDC FAD 0.004228 0.4017 2.78638
82 2V5K OXM 0.0005957 0.44853 2.78746
83 1A5Z FBP 0.001874 0.40529 2.82132
84 2WK1 SAH 0.001569 0.40421 2.83688
85 3VOZ 04A 0.001232 0.41962 2.85714
86 2ZO9 MLI 0.00185 0.42902 2.91971
87 3WUD GLC GAL 0.003456 0.45662 2.94118
88 2VQ5 LDP 0.01063 0.43955 2.98507
89 2VQ5 HBA 0.007876 0.4323 2.98507
90 1NVU GTP 0.002831 0.41251 3.01205
91 2Q3M MLA 0.002005 0.47684 3.06748
92 2Q1A 2KT 0.0004532 0.41813 3.07167
93 1NU4 MLA 0.007771 0.41093 3.09278
94 1I0Z OXM 0.0006108 0.50335 3.09598
95 1Q3Q ANP 0.0008965 0.43119 3.09598
96 1U5R ATP 0.0009775 0.4277 3.09598
97 2YYJ 4HP 0.005225 0.41738 3.09598
98 2YYJ FAD 0.005225 0.41738 3.09598
99 4OB6 S2T 0.002312 0.4139 3.09598
100 3VGL BGC 0.00009294 0.41267 3.09598
101 3O2K DST 0.01084 0.40954 3.09598
102 3O2K QRP 0.006582 0.40934 3.09598
103 2X61 CH 0.00006823 0.45216 3.10078
104 2X61 NGA GAL SIA 0.003049 0.41295 3.10078
105 1YOE RIB 0.0001816 0.42423 3.10559
106 1LTH NAD 0.003741 0.40681 3.1348
107 3GM5 CIT 0.00286 0.44642 3.14465
108 1GSA ADP 0.0004879 0.43304 3.16456
109 4LKK SIA GAL 0.001247 0.41528 3.18471
110 1QDS PGA 0.006491 0.40959 3.18725
111 2XI7 XI7 0.01756 0.44409 3.26087
112 4JEJ 1GP 0.0009246 0.43835 3.27869
113 1KYQ NAD 0.002055 0.40769 3.28467
114 3FS8 ACO 0.002944 0.4241 3.2967
115 3FS8 TDR 0.003736 0.41862 3.2967
116 2BNE U5P 0.000344 0.42238 3.3195
117 2VDJ HSE 0.007284 0.44061 3.32226
118 1ULE GLA GAL NAG 0.000691 0.49111 3.33333
119 3I6B KDO 0.00294 0.43385 3.33333
120 3NOJ PYR 0.00007879 0.50508 3.36134
121 1Y75 NAG 0.006145 0.41517 3.38983
122 1V6A TRE 0.001149 0.45769 3.40557
123 1LCP PLU 0.00001737 0.44972 3.40557
124 4OYA 1VE 0.001829 0.44119 3.40557
125 4CIB 7UZ 0.0035 0.43628 3.40557
126 2TOH HBI 0.0002576 0.4182 3.40557
127 2PUL ACP 0.002885 0.41035 3.40557
128 4W6Z ETF 0.03587 0.40617 3.40557
129 3UEC ALA ARG TPO LYS 0.003266 0.45048 3.42466
130 1PKK DCP 0.0009578 0.40761 3.43137
131 1XE7 GUN 0.0009763 0.49289 3.44828
132 2VAR KDF 0.006702 0.40472 3.51438
133 3U1T MLI 0.02748 0.40634 3.55987
134 3LTW HLZ 0.002253 0.45117 3.57143
135 2P69 PLP 0.003477 0.4364 3.59477
136 4LZJ 22H 0.01781 0.40039 3.63036
137 3SQG COM 0.003357 0.47439 3.71517
138 4WBD CIT 0.002027 0.46806 3.71517
139 4MOB ADP 0.0001178 0.45888 3.71517
140 4WBD ADP 0.006931 0.43494 3.71517
141 1E4E ADP 0.001032 0.41814 3.71517
142 1PX8 XYP 0.01199 0.41255 3.71517
143 2DVZ GLU 0.006802 0.40877 3.71517
144 2OHV NHL 0.008013 0.41038 3.78788
145 1B74 DGN 0.02176 0.41703 3.93701
146 3NGU ADP 0.0007537 0.4367 3.97351
147 2JBH 5GP 0.002057 0.43491 4
148 2FGQ MLT 0.0003504 0.48818 4.02477
149 1GJW GLC 0.001263 0.47009 4.02477
150 4USS GSH 0.0004659 0.46811 4.02477
151 4NAO AKG 0.001971 0.4609 4.02477
152 1FP2 SAH 0.000559 0.44162 4.02477
153 1Z45 GAL 0.00218 0.43942 4.02477
154 1Y42 TYR 0.002464 0.43714 4.02477
155 4CCO OGA 0.002684 0.43555 4.02477
156 4QDC ASD 0.00005848 0.42567 4.02477
157 1RZM E4P 0.01095 0.42547 4.02477
158 1RZM PEP 0.008194 0.41476 4.02477
159 2RAB FAD 0.03153 0.40847 4.02477
160 2VCH UDP 0.02008 0.402 4.02477
161 1EYQ NAR 0.002658 0.43029 4.05405
162 1Z6K OAA 0.0001327 0.47436 4.09556
163 5D63 FUC GLA GLA 0.009727 0.42202 4.09556
164 1OMZ UD2 0.001079 0.41763 4.09556
165 1EJE FMN 0.001402 0.4135 4.16667
166 1D09 PAL 0.003184 0.43498 4.19355
167 1V1A KDG 0.0001853 0.40321 4.20712
168 2OFE NAG 0.02654 0.4019 4.22535
169 1K27 MTM 0.00006514 0.40596 4.24028
170 4JWX 1N4 0.009765 0.41149 4.28571
171 2XDQ MGX 0.02783 0.41791 4.33437
172 2Q28 ADP 0.001002 0.41454 4.33437
173 1WDA BAG 0.007358 0.41192 4.33437
174 1JIL 485 0.001452 0.40906 4.33437
175 2C9O ADP 0.00004751 0.40855 4.33437
176 3QV9 QV7 0.01564 0.40741 4.33437
177 3DG6 MUC 0.006933 0.4001 4.33437
178 2ZE3 AKG 0.0058 0.42656 4.36364
179 3RGG AIR 0.01094 0.40043 4.40252
180 4L6C 0BT 0.001336 0.40294 4.45545
181 1JOT GAL A2G 0.003762 0.41913 4.51128
182 2J5S KTA 0.001058 0.41777 4.56274
183 1UF5 CDT 0.01085 0.40058 4.62046
184 1FX8 BOG 0.003363 0.40395 4.62633
185 1FW1 GSH 0.003425 0.41174 4.62963
186 3I0O SMI 0.0001696 0.49444 4.64396
187 3IB9 BTN 0.004171 0.44892 4.64396
188 4PB2 5UD 0.0001452 0.44792 4.64396
189 1RYI GOA 0.02082 0.44451 4.64396
190 3NNF AKG 0.01111 0.41936 4.64396
191 2NCD ADP 0.009308 0.41744 4.64396
192 2DWU DGL 0.000895 0.4499 4.71014
193 1NVV GNP 0.0006001 0.40343 4.81928
194 2PNZ UDP 0.0006554 0.40228 4.81928
195 1Y7P RIP 0.007019 0.42853 4.93274
196 1KC7 PPR 0.006464 0.43638 4.95356
197 4KCT PYR 0.005101 0.41854 4.95356
198 1H2K OGA 0.01394 0.41483 4.95356
199 3A1I UNU 0.004832 0.41475 4.95356
200 2PP3 LGT 0.0002 0.41142 4.95356
201 1H2M OGA 0.02144 0.40619 4.95356
202 2Y0I AKG 0.0167 0.40614 4.95356
203 3P3N AKG 0.02364 0.40423 4.95356
204 2ZSC BTN 0.001987 0.42073 4.96454
205 2WCV FUC 0.01264 0.40213 5
206 3SHR CMP 0.003516 0.42032 5.01672
207 1YOA FAD 0.0003072 0.4236 5.03145
208 1WHT BZS 0.0151 0.41322 5.07812
209 3EJ0 11X 0.005113 0.42622 5.10204
210 1C1L GAL BGC 0.01677 0.41662 5.10949
211 1O7N IND 0.000709 0.41184 5.15464
212 1ML4 PAL 0.0004304 0.42493 5.19481
213 3MAG 3MA 0.01772 0.43548 5.21173
214 1LYX PGA 0.003443 0.41166 5.24194
215 2EB5 OXL 0.009076 0.4234 5.24345
216 3B9Z CO2 0.00007652 0.51842 5.26316
217 4KCF AKM 0.0002652 0.44386 5.26316
218 1T26 GBD 0.001431 0.44313 5.26316
219 1T26 NAI 0.001431 0.44313 5.26316
220 2Q8H TF4 0.01029 0.44028 5.26316
221 1I2B NAD 0.004956 0.4326 5.26316
222 1I2B UPG 0.004956 0.4326 5.26316
223 1I2B USQ 0.004956 0.4326 5.26316
224 3BRE C2E 0.02001 0.40758 5.26316
225 4DYO SD4 0.01002 0.40633 5.26316
226 4C6F NCD 0.008809 0.40423 5.26316
227 4C6F DOR 0.008809 0.40423 5.26316
228 3T1A 5MA 0.002623 0.40398 5.26316
229 2BOI MFU 0.0006492 0.46194 5.30973
230 1OGD RIP 0.0102 0.41068 5.34351
231 3MCT 3MC 0.001867 0.4423 5.38721
232 3F81 STT 0.00531 0.45509 5.46448
233 2Q37 3AL 0.019 0.40364 5.52486
234 3F8C HT1 0.01447 0.40891 5.55556
235 3L24 GOA 0.002819 0.46923 5.57276
236 1TV5 ORO 0.0003417 0.44205 5.57276
237 1T10 F6P 0.002873 0.44007 5.57276
238 4TSK NDP 0.0006643 0.43565 5.57276
239 1TV5 A26 0.0002498 0.42651 5.57276
240 3JQ3 ADP 0.009428 0.40304 5.57276
241 1RY2 AMP 0.0007152 0.40114 5.57276
242 2YCD GTB 0.0021 0.42443 5.65217
243 4LO6 SIA GAL 0.001694 0.46787 5.78947
244 2GJ3 FAD 0.00002499 0.45332 5.83333
245 2BLE 5GP 0.001296 0.42726 5.88235
246 3V1V GST 0.002683 0.40748 5.88235
247 1PTR PRB 0.005508 0.43969 6
248 2H6B 3C4 0.004767 0.40479 6
249 1I9G SAM 0.00008391 0.4564 6.07143
250 4COQ SAN 0.02056 0.40703 6.07287
251 1EDO NAP 0.0003083 0.45496 6.14754
252 1O68 KIV 0.004215 0.42715 6.18182
253 3O03 NAP 0.003554 0.41066 6.18557
254 3ZPG 5GP 0.004435 0.45911 6.19195
255 4MWV BCZ 0.00003427 0.45909 6.19195
256 4M37 SAH 0.002172 0.4031 6.19195
257 2W3L DRO 0.0111 0.43859 6.25
258 1AX2 NDG GAL 0.0006614 0.4616 6.27615
259 4B16 NAG 0.01573 0.43828 6.39098
260 4AF0 MOA 0.0001456 0.42584 6.50155
261 2NVK NAP 0.005532 0.42208 6.50155
262 2YP9 SIA CMO 0.003302 0.40619 6.50155
263 2FWP ICR 0.00006452 0.44748 6.55738
264 2FWP CIT 0.00007477 0.43939 6.55738
265 4IEN GDP 0.00007172 0.42357 6.74847
266 1JN2 SFP 0.008835 0.46933 6.75105
267 1T0I FMN 0.002994 0.40197 6.80628
268 2NZ2 ASP 0.004441 0.42618 6.81115
269 2F2U M77 0.004108 0.4176 6.81115
270 3R51 MMA 0.02034 0.42498 6.875
271 1C3V PDC 0.001214 0.45663 6.93878
272 2XRH NIO 0.002663 0.4547 7
273 3I51 45C 0.004653 0.41092 7.03704
274 3BY8 MLT 0.001489 0.46669 7.04225
275 2YDW WSH 0.009027 0.4038 7.18954
276 2HVK TBA 0.001262 0.4627 7.25806
277 1JA9 NDP 0.0002152 0.46046 7.29927
278 1JA9 PYQ 0.0006632 0.40697 7.29927
279 3EW2 BTN 0.01021 0.406 7.40741
280 3FPZ AHZ 0.001533 0.43543 7.43034
281 1OTH PAO 0.0001823 0.42888 7.47664
282 1UW1 ADP 0.003473 0.43643 7.5
283 2BGM NAJ 0.003821 0.40958 7.55396
284 3S9K CIT 0.0005231 0.52013 7.62712
285 2HMT NAI 0.00001145 0.48746 7.63889
286 2F59 INI 0.0009943 0.41871 7.64331
287 3QDW A2G 0.0008108 0.49704 7.69231
288 1B55 4IP 0.0006697 0.43865 7.69231
289 3QDY CBS 0.01089 0.42558 7.69231
290 3CH5 GDP 0.001976 0.42547 7.69231
291 3QDW NDG 0.01582 0.41785 7.69231
292 1V5F FAD 0.001967 0.45389 7.73994
293 1V5F TPP 0.001967 0.45389 7.73994
294 3PC3 P1T 0.0006111 0.41781 7.73994
295 2C2A ADP 0.003512 0.40328 7.75194
296 4G1V FAD 0.001091 0.44798 7.76942
297 1JH7 UVC 0.009094 0.41789 7.93651
298 1I36 NAP 0.0006157 0.41383 7.95455
299 4WX0 HXD 0.002721 0.41129 7.98479
300 1ZJ6 G3D 0.0007017 0.44302 8.02139
301 4RJK PYR 0.004559 0.45067 8.04954
302 3Q9T FAY 0.001594 0.40677 8.04954
303 1ZZ7 S0H 0.0007407 0.45949 8.08081
304 1FS5 TLA 0.00006525 0.42482 8.27068
305 1XX4 BAM 0.001081 0.4556 8.42912
306 4Q3F TLA 0.0008701 0.47009 8.54701
307 2BZ1 TAU 0.0001648 0.55823 8.67347
308 2FH5 GTP 0.0005524 0.42336 8.8785
309 2Y6P CTP 0.01044 0.40126 8.97436
310 3I8T LBT 0.003854 0.42882 9.14634
311 2X2T GAL NGA 0.01036 0.44014 9.15033
312 1QO0 BMD 0.02847 0.40049 9.18367
313 1B4P GPS 0.001012 0.41845 9.21659
314 2YIV NBN 0.003998 0.44631 9.28793
315 1XMV ADP 0.0007415 0.42974 9.28793
316 4KGM ATP 0.003538 0.41557 9.38776
317 3CBG FER 0.009234 0.44271 9.48276
318 3CBG 4FE 0.03318 0.4207 9.48276
319 3CBG SAH 0.00224 0.41029 9.48276
320 1UAY ADN 0.00523 0.40476 9.91736
321 4NTX AMR 0.0005292 0.4691 10
322 3EM1 TYD 0.0005085 0.4109 10.274
323 2YD6 FLC 0.000211 0.56043 10.3774
324 1FWE HAE 0.0003129 0.46883 10.3774
325 1OYB FMN 0.0006915 0.40852 10.5263
326 1EYE PMM 0.005822 0.40711 10.7143
327 1R0X ATP 0.0003585 0.42112 10.8392
328 1NXJ TLA 0.0001248 0.45795 10.929
329 1NXJ GLV 0.0008357 0.45114 10.929
330 3RK0 AMP 0.003484 0.41584 10.9705
331 1Y13 BIO 0.0005824 0.45173 11.0497
332 4N02 FNR 0.00001467 0.48831 11.1455
333 1T0S BML 0.0009256 0.48485 11.1455
334 1SC3 MLI 0.001167 0.47988 11.3636
335 1P72 THM 0.008361 0.41438 11.4551
336 4M7F BM3 0.0001915 0.48463 11.5044
337 4TMK T5A 0.001802 0.44557 11.7371
338 2O66 FLC 0.003093 0.43865 11.8519
339 3TA2 AKG 0.0003978 0.41379 11.8644
340 4FGC PQ0 0.007749 0.42097 12.1212
341 1VQ2 DDN 0.002296 0.40991 12.4352
342 3KJQ B94 0.001978 0.42545 12.6316
343 4DN8 BMA 0.00001587 0.54969 12.8205
344 2JC9 ADN 0.01788 0.40016 13.0031
345 3DGB MUC 0.00454 0.41134 13.3127
346 1SSQ CYS 0.001995 0.41123 13.4831
347 4G28 0W8 0.006972 0.4129 14.094
348 3TO7 COA 0.0003565 0.42772 14.1304
349 4PTZ FMN 0.001702 0.41458 14.1361
350 4CCN OGA 0.01732 0.41047 14.2857
351 1SS4 CIT 0.006891 0.49894 14.3791
352 1SS4 GSH 0.01488 0.45385 14.3791
353 4FUA PGH 0.0001485 0.4167 14.4186
354 3KMT SAH 0.0002092 0.45782 15.126
355 2DTJ THR 0.003567 0.42006 16.2921
356 3PLN U5P 0.006213 0.41992 16.4087
357 3ZGE ASP 0.01615 0.42347 17.3375
358 3TKA CTN 0.000997 0.51731 18.2663
359 2ZJ5 ADP 0.0006144 0.46972 18.2663
360 3TKA SAM 0.001021 0.41041 18.2663
361 4LFL TG6 0.003223 0.42184 19.7531
362 2V5E SCR 0.01714 0.43627 20
363 1MOQ GLP 0.002382 0.40545 20.1238
364 3H86 AP5 0.002273 0.41456 20.3125
365 2FOI JPA 0.01097 0.40039 26.6667
366 1JAC AMG 0.009039 0.45126 30
367 4GQB 0XU 0.00126 0.42283 31.8182
368 1WOG 16D 0.00000005653 0.51459 39.3443
Pocket No.: 2; Query (leader) PDB : 1D3V; Ligand: ABH; Similar sites found: 98
This union binding pocket(no: 2) in the query (biounit: 1d3v.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3PNA CMP 0.002453 0.43174 None
2 1MQ0 BRD 0.001811 0.42225 None
3 1J2Z SOG 0.00257 0.41015 1.11111
4 2OWZ CIT 0.02145 0.40618 1.23839
5 5A2J ALA PRO ASP THR ARG PRO 0.04265 0.40523 1.63934
6 1HFA PIO 0.0003511 0.54226 1.7301
7 1UOU CMU 0.002609 0.41623 1.85759
8 2BH9 NAP 0.004731 0.40242 1.85759
9 3VPQ GSH 0.01527 0.40787 1.96078
10 4E28 0MZ 0.0124 0.4119 2.16718
11 3E6J DR2 0.04382 0.41075 2.18341
12 1WKL ADP 0.001262 0.4151 2.18978
13 2A2X NA9 0.002549 0.40442 2.3166
14 1M1B SPV 0.01037 0.41536 2.37288
15 1FIQ FAD 0.001835 0.40009 2.47678
16 3WCS MAN NAG GAL 0.001473 0.43552 2.75591
17 2VJJ RAM GLC GAL NAG NAG GLC 0.000142 0.45248 2.78638
18 4A6D SAM 0.0005638 0.42305 2.78638
19 1R37 NAD 0.001781 0.40051 2.78638
20 1A5Z OXM 0.01036 0.43304 2.82132
21 3M0J OAF 0.0001267 0.40193 2.9316
22 2CJH AKG 0.001489 0.42096 3.09598
23 2R5T ANP 0.000543 0.41952 3.09598
24 3AYS CT3 0.009288 0.4033 3.09598
25 2O2C G6Q 0.005354 0.40043 3.09598
26 4EKV BTN 0.0000839 0.44093 3.14465
27 1A5V Y3 0.001049 0.45945 3.16456
28 1GSA GSH 0.0004508 0.42792 3.16456
29 1U3I GSH 0.01196 0.4126 3.31754
30 1NF8 BOG 0.03446 0.4016 3.38164
31 1MZV AMP 0.007688 0.40662 3.40426
32 4O8A 2OP 0.03763 0.41107 3.40557
33 2QS8 MET 0.0002644 0.40081 3.40557
34 4BAS GNP 0.00005592 0.42266 3.51759
35 4LIT AKG 0.001406 0.45381 3.71517
36 1MXI SAH 0.002878 0.40257 3.75
37 3L6R MLI 0.01402 0.42034 4.02477
38 2NT8 ATP 0.0005731 0.40892 4.03587
39 1IM8 SAI 0.001911 0.40137 4.09836
40 5DRN 5CT 0.01892 0.43018 4.18605
41 1V1A ADP 0.0009083 0.40278 4.20712
42 3KYF 5GP 5GP 0.006893 0.40853 4.329
43 3OAI MAL 0.03512 0.40664 4.33437
44 3OCZ SRA 0.004304 0.4001 4.58015
45 2WL9 MBD 0.0003344 0.41471 4.59016
46 3TFC PEP 0.003411 0.43109 4.64396
47 4JCA CIT 0.02691 0.42565 4.79042
48 3BHO B4P 0.006901 0.45757 4.80769
49 1Y1A GSH 0.0005626 0.5353 4.91803
50 2JAR UMP 0.0004062 0.4323 5
51 3RF4 FUN 0.01536 0.40301 5.17241
52 4KCF FMN 0.0009226 0.41325 5.26316
53 1W7J ADP BEF 0.003576 0.40299 5.29801
54 2QCX PF1 0.01053 0.41506 5.32319
55 1ECM TSA 0.003738 0.42414 5.50459
56 3BK2 U5P 0.005072 0.40946 5.57276
57 1EP2 FMN 0.0003051 0.40368 5.74713
58 3MD0 GDP 0.01172 0.4035 5.88235
59 4EXO PYR 0.02667 0.41261 6.16438
60 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.00189 0.40655 6.19195
61 1LSS NAD 0.001052 0.40998 6.42857
62 3SCH TB6 0.001302 0.46208 6.56566
63 2GN2 C5P 0.001013 0.42267 7.01754
64 1A59 COA 0.001239 0.41537 7.12074
65 1VJO PLP 0.003986 0.40516 7.12074
66 1UFY MLI 0.02552 0.40269 7.37705
67 4A6F SEP 0.01282 0.44308 7.5
68 4K30 NLG 0.005659 0.42166 7.5
69 4F8L GAL 0.008724 0.46127 7.58621
70 3QDY A2G GAL 0.00185 0.47001 7.69231
71 3QDT A2G GAL 0.01008 0.43363 7.69231
72 3CI3 5AD 0.0001675 0.40626 7.73196
73 3CI3 3PO 0.0001675 0.40626 7.73196
74 1YFZ IMP 0.02217 0.40064 7.80488
75 4M5P 23W 0.01838 0.42068 8.04954
76 1BTN I3P 0.03968 0.42267 8.49057
77 3T2W BTN 0.008574 0.40471 9.01639
78 1QH9 LAC 0.009252 0.42302 9.05172
79 1NP0 NGT 0.02598 0.40233 9.47368
80 1A8S PPI 0.008137 0.40349 9.52381
81 1DUC DUD 0.00137 0.40802 9.70149
82 2HW1 FRU 0.004478 0.43153 9.73154
83 2ORV 4TA 0.000676 0.40528 9.82906
84 1O9U ADZ 0.005987 0.45241 9.90712
85 1I1Q TRP 0.01294 0.40171 10.5263
86 1S8F GDP 0.00485 0.406 10.7345
87 2HV8 GTP 0.0003236 0.41515 10.9375
88 2WIC GNP 0.0005865 0.40896 11.236
89 2P4T NAP 0.0005573 0.41229 11.2903
90 2C7G FAD 0.006495 0.40094 11.7647
91 1OFH ADP 0.0007314 0.40085 12.069
92 3ZF8 GDP 0.009161 0.40355 14.0984
93 2HNK SAH 0.002431 0.40143 16.4087
94 1UO5 PIH 0.02664 0.43381 17.6471
95 1UO4 PIH 0.0466 0.41263 17.6471
96 1H8G CHT 0.03032 0.43061 17.8947
97 1QJC PNS 0.001765 0.41828 27.2152
98 4UBP HAE 0.000242 0.40016 30.1587
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