3PGA

structural characterization of pseudomonas 7a glutaminase- asparaginase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: 2-3
  • Int. Res.: 96
  • Norm. En. per Res.: -4.7918
• Hub Node: 1(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
1-2	-20.1863	-58.0572	-214.692	-292.9356	105	17	3	8964	7	23	15
1-3	-107.0074	29.6027	-657.24	-734.6447	222	34	22	24491	2	41	21
1-4	-41.4988	-82.3324	-333.724	-457.5552	99	4	8	11827	8	17	28
2-3	-45.9511	-82.5082	-331.555	-460.0142	96	3	7	11925	8	18	30
2-4	-134.124	28.0829	-668.209	-774.2501	211	36	20	24197	3	40	21
3-4	-46.2004	-45.9405	-232.788	-324.9289	107	19	4	10085	8	22	16

Interface residues

• 1-2: ALA1311, ALA1312, ALA1341, ALA1342, ALA1452, ALA222, ALA242, ALA262, ALA281, ALA291, ALA321, ARG1271, ARG1272, ASN1391, ASN1392, ASN1421, ASN1422, ASN1621, ASN1622, ASN1761, ASN1762, ASN301, ASP1351, ASP1352, ASP1631, ASP1632, ASP531, ASP532, GLN1661, GLN1662, GLU1641, GLU1642, GLU1801, GLU1802, GLU1941, GLU1942, GLU501, GLU502, GLY1361, GLY1362, GLY1901, GLY1902, GLY1951, GLY1952, GLY232, GLY252, GLY471, ILE1651, ILE1652, ILE1751, ILE1752, ILE1771, ILE1772, LEU1381, LEU1382, LEU1401, LEU1402, LEU511, LEU512, LEU541, LEU542, LYS1781, LYS1782, LYS1831, LYS1832, LYS1962, MET1261, MET1262, MET1321, MET1322, MET1371, MET1372, MET1611, MET1612, MET1911, MET1912, PHE2002, PRO1281, PRO1881, PRO1882, PRO491, PRO492, SER1252, SER1331, SER1332, SER271, SER311, THR1301, THR1302, THR1791, THR1792, THR331, TYR1411, TYR1412, TYR1981, TYR1982, TYR31, TYR32, TYR341, VAL1921, VAL1922, VAL1931, VAL1932, VAL481, VAL482
• 1-3: ALA1811, ALA1813, ALA1851, ALA1853, ALA2271, ALA2273, ALA2371, ALA2373, ALA2401, ALA2403, ALA2421, ALA2423, ALA2461, ALA2463, ALA2521, ALA2523, ALA2931, ALA2933, ALA321, ALA323, ALA361, ALA363, ALA661, ALA663, ARG2621, ARG2623, ARG2791, ARG2793, ARG2911, ARG2913, ARG3141, ARG3143, ASN1761, ASN1763, ASN2321, ASN2323, ASN2441, ASN2443, ASN2561, ASN2563, ASN2841, ASN2843, ASN2921, ASN2923, ASN301, ASN303, ASN3091, ASN3093, ASN721, ASN723, ASP1011, ASP1013, ASP2251, ASP2253, ASP2351, ASP2353, ASP2973, ASP3071, ASP3073, ASP731, ASP733, ASP741, ASP743, GLN2231, GLN2233, GLN2431, GLN2433, GLN2851, GLN2853, GLN2951, GLN2953, GLN351, GLN353, GLU1041, GLU1043, GLU1051, GLU1053, GLU1801, GLU1803, GLU2941, GLU2943, GLU3111, GLU3113, GLU3181, GLU3183, GLU681, GLU683, GLY2311, GLY2313, GLY2451, GLY2453, GLY2531, GLY2533, GLY2551, GLY2553, GLY2571, GLY2573, GLY2861, GLY2863, GLY2871, GLY2873, HIS2511, HIS2513, HIS2821, HIS2823, HIS3061, HIS3063, ILE1751, ILE1753, ILE1771, ILE1773, ILE2261, ILE2263, ILE2501, ILE2503, ILE3151, ILE3153, ILE651, ILE653, ILE701, ILE703, LEU1031, LEU1033, LEU2211, LEU2213, LEU2411, LEU2413, LEU2491, LEU2493, LEU2631, LEU2633, LEU2901, LEU2903, LEU751, LEU753, LYS1731, LYS1733, LYS1781, LYS1783, LYS1831, LYS1833, LYS2391, LYS2393, LYS2473, LYS3121, LYS3123, MET1261, MET1263, PHE1821, PHE1823, PHE2881, PHE2883, PRO2221, PRO2223, PRO2961, PRO2963, PRO3101, PRO3103, SER1721, SER1723, SER1741, SER1743, SER1841, SER1843, SER2291, SER2293, SER2581, SER2583, SER2601, SER2603, SER2611, SER2613, SER2801, SER2803, SER2811, SER2813, SER311, SER313, SER671, SER673, SER691, SER693, THR1001, THR1003, THR1021, THR1023, THR1061, THR1063, THR201, THR203, THR2341, THR2343, THR2361, THR2363, THR2541, THR2543, THR2641, THR2643, THR331, THR333, THR711, THR713, TRP1861, TRP1863, TYR2281, TYR2283, TYR2301, TYR2303, TYR2381, TYR2383, TYR341, TYR343, VAL2241, VAL2243, VAL2331, VAL2333, VAL2591, VAL2593, VAL2831, VAL2833, VAL2891, VAL2893
• 1-4: ALA1851, ALA1854, ALA2041, ALA2044, ALA2931, ALA2934, ALA3051, ARG1691, ARG1694, ARG2011, ARG2014, ARG2911, ARG2914, ASN2561, ASN2564, ASN2921, ASN2924, ASP1631, ASP1634, ASP1701, ASP1704, ASP3071, ASP3074, GLN1661, GLN1664, GLU1641, GLU1644, GLU1941, GLU1944, GLY1681, GLY1684, GLY1871, GLY1874, GLY1901, GLY1904, GLY2861, GLY2864, GLY2871, GLY2874, HIS2071, HIS2074, HIS3061, HIS3064, ILE1651, ILE1654, LEU1891, LEU1894, LEU2021, LEU2024, LEU2901, LEU2904, LEU3081, LEU3084, LYS1551, LYS1554, LYS1831, LYS1834, LYS1961, LYS1964, LYS2051, LYS2054, MET1911, MET1914, PHE2001, PHE2004, PHE2881, PHE2884, PHE3341, PHE3344, PRO1881, PRO1884, PRO2031, PRO2034, SER1671, SER1674, SER1841, SER1844, SER1971, SER1974, TRP1861, TRP1864, TRP1991, TRP1994, TRP3351, TRP3354, TYR1981, TYR1984, TYR3371, TYR3374, VAL1711, VAL1714, VAL1921, VAL1924, VAL1931, VAL1934, VAL2891, VAL2894, VAL3041, VAL3044
• 2-3: ALA1852, ALA1853, ALA2042, ALA2043, ALA2932, ALA2933, ARG1692, ARG1693, ARG2012, ARG2013, ARG2912, ARG2913, ASN2562, ASN2563, ASN2922, ASN2923, ASP1632, ASP1633, ASP1702, ASP1703, ASP3072, ASP3073, GLN1662, GLN1663, GLU1642, GLU1643, GLU1942, GLU1943, GLY1682, GLY1683, GLY1872, GLY1873, GLY1902, GLY1903, GLY2862, GLY2863, GLY2872, GLY2873, HIS2073, HIS3062, HIS3063, ILE1652, ILE1653, LEU1892, LEU1893, LEU2022, LEU2023, LEU2902, LEU2903, LEU3082, LEU3083, LYS1552, LYS1553, LYS1832, LYS1833, LYS1962, LYS1963, LYS2052, LYS2053, MET1912, MET1913, PHE2002, PHE2003, PHE2882, PHE2883, PHE3342, PHE3343, PRO1882, PRO1883, PRO2032, PRO2033, SER1672, SER1673, SER1842, SER1843, SER1972, SER1973, TRP1862, TRP1863, TRP1992, TRP1993, TRP3352, TRP3353, TYR1982, TYR1983, TYR3372, TYR3373, VAL1712, VAL1713, VAL1922, VAL1923, VAL1932, VAL1933, VAL2892, VAL2893, VAL3043
• 2-4: ALA1812, ALA1814, ALA1852, ALA1854, ALA2272, ALA2274, ALA2372, ALA2374, ALA2402, ALA2404, ALA2422, ALA2424, ALA2462, ALA2464, ALA2482, ALA2522, ALA2524, ALA2932, ALA2934, ALA324, ALA364, ALA662, ALA664, ARG2622, ARG2624, ARG2792, ARG2794, ARG2912, ARG2914, ARG3142, ARG3144, ASN1762, ASN1764, ASN2322, ASN2324, ASN2442, ASN2444, ASN2562, ASN2564, ASN2842, ASN2844, ASN2922, ASN304, ASN3092, ASN3094, ASN722, ASN724, ASP1012, ASP1014, ASP2252, ASP2254, ASP2352, ASP2354, ASP2972, ASP3072, ASP3074, ASP732, ASP734, ASP742, ASP744, GLN2232, GLN2234, GLN2432, GLN2434, GLN2852, GLN2854, GLN2952, GLN2954, GLN354, GLU1042, GLU1044, GLU1052, GLU1054, GLU1802, GLU1804, GLU2942, GLU2944, GLU3112, GLU3114, GLU3182, GLU3184, GLU682, GLU684, GLY2312, GLY2314, GLY2452, GLY2454, GLY2532, GLY2534, GLY2552, GLY2554, GLY2572, GLY2574, GLY2862, GLY2864, GLY2872, GLY2874, HIS2512, HIS2514, HIS2822, HIS2824, HIS3062, HIS3064, ILE1752, ILE1754, ILE1772, ILE1774, ILE2262, ILE2264, ILE2502, ILE2504, ILE3152, ILE3154, ILE652, ILE702, ILE704, LEU1032, LEU1034, LEU2212, LEU2214, LEU2412, LEU2414, LEU2492, LEU2494, LEU2632, LEU2634, LEU2902, LEU2904, LEU752, LEU754, LYS1732, LYS1734, LYS1782, LYS1784, LYS1832, LYS1834, LYS2392, LYS2394, LYS3122, LYS3124, MET1262, MET1264, PHE1822, PHE1824, PHE2882, PHE2884, PRO2222, PRO2224, PRO2962, PRO3102, PRO3104, SER1722, SER1724, SER1742, SER1744, SER1842, SER1844, SER2292, SER2294, SER2582, SER2584, SER2602, SER2604, SER2612, SER2614, SER2802, SER2804, SER2812, SER2814, SER314, SER672, SER674, SER692, SER694, THR1002, THR1004, THR1022, THR1024, THR1062, THR1064, THR204, THR2342, THR2344, THR2362, THR2364, THR2542, THR2544, THR2642, THR2644, THR334, THR712, THR714, TRP1862, TRP1864, TYR2282, TYR2284, TYR2302, TYR2304, TYR2382, TYR2384, TYR344, VAL2242, VAL2244, VAL2332, VAL2334, VAL2592, VAL2594, VAL2832, VAL2834, VAL2892, VAL2894
• 3-4: ALA1313, ALA1314, ALA1343, ALA1344, ALA283, ALA284, ALA293, ALA294, ALA323, ALA324, ARG1273, ARG1274, ASN1393, ASN1394, ASN1423, ASN1424, ASN1623, ASN1624, ASN1763, ASN1764, ASN303, ASN304, ASP1353, ASP1354, ASP1633, ASP1634, ASP533, ASP534, GLN1663, GLN1664, GLU1643, GLU1644, GLU1803, GLU1804, GLU1943, GLU1944, GLU503, GLU504, GLY1363, GLY1364, GLY1903, GLY1904, GLY1953, GLY1954, GLY473, GLY474, ILE1653, ILE1654, ILE1753, ILE1754, ILE1773, ILE1774, LEU1383, LEU1384, LEU1403, LEU1404, LEU513, LEU514, LEU543, LEU544, LYS1783, LYS1784, LYS1833, LYS1834, LYS1964, MET1263, MET1264, MET1323, MET1324, MET1373, MET1374, MET1613, MET1614, MET1913, MET1914, PHE1823, PHE1824, PRO1284, PRO1883, PRO1884, PRO493, PRO494, SER1253, SER1254, SER1333, SER1334, SER273, SER274, SER313, SER314, THR1304, THR1793, THR1794, THR333, THR334, TYR1413, TYR1414, TYR1983, TYR1984, TYR343, TYR344, VAL1923, VAL1924, VAL1933, VAL1934, VAL483, VAL484