2NVU

structure of appbp1-uba3~nedd8-nedd8-mgatp-ubc12(c111a), a trapped ubiquitin-like protein activation complex

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: B-I
  • Int. Res.: 107
  • Norm. En. per Res.: -4.3413
• Hub Node: A(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
A-B	-150.2622	-112.9152	-1020.57	-1283.7474	331	59	18	41283	16	75	72
A-I	0.0	-1.0137	-95.239	-96.2527	61	2	0	3532	1	28	30
A-J	-23.0316	-85.0599	-32.8644	-140.9559	40	10	0	1931	5	17	10
B-C	-112.357	-52.665	-534.433	-699.455	246	33	10	24120	5	76	71
B-I	-76.3597	-25.4531	-362.711	-464.5238	107	14	8	13190	0	23	23
B-J	0.0	0.0	146.976	146.976	18	5	0	829	0	2	0
C-J	-4.2572	-1.1313	-59.4764	-64.8649	41	6	1	2399	0	9	9

Interface residues

• A-B: ALA1339B, ALA1343B, ALA1364B, ALA1365B, ALA1369B, ALA1370B, ALA1371B, ALA2068B, ALA2107B, ALA2189B, ALA2268B, ALA2291B, ALA2293B, ALA2297B, ALA2300B, ALA2301B, ALA2304B, ALA2314B, ALA334A, ALA40A, ALA487A, ALA488A, ALA494A, ALA495A, ALA500A, ALA501A, ALA502A, ALA530A, ALA70A, ALA89A, ARG15A, ARG18A, ARG2016B, ARG2026B, ARG2073B, ARG2090B, ARG2095B, ARG2114B, ARG2223B, ARG2267B, ARG2274B, ARG2279B, ARG2287B, ARG347A, ARG391A, ARG484A, ARG78A, ARG85A, ASN1368B, ASN178A, ASN2018B, ASN2066B, ASN2087B, ASN2089B, ASN2112B, ASN2117B, ASN2272B, ASN2296B, ASN2319B, ASN2325B, ASN264A, ASN344A, ASN447A, ASN48A, ASN517A, ASN518A, ASN72A, ASN73A, ASN97A, ASP14A, ASP177A, ASP2012B, ASP2084B, ASP2113B, ASP2252B, ASP22A, ASP2326B, ASP2328B, ASP331A, ASP335A, ASP420A, ASP453A, ASP476A, ASP477A, ASP69A, ASP99A, CYS2061B, CYS2118B, CYS2216B, CYS2303B, CYS483A, GLN11A, GLN130A, GLN1336B, GLN1366B, GLN16A, GLN2091B, GLN2270B, GLN2282B, GLN25A, GLN343A, GLN449A, GLN503A, GLN512A, GLN527A, GLN77A, GLN94A, GLU10A, GLU2014B, GLU2025B, GLU2062B, GLU2183B, GLU2226B, GLU2306B, GLU263A, GLU267A, GLU348A, GLU44A, GLU451A, GLU481A, GLU489A, GLU504A, GLU68A, GLU91A, GLU95A, GLY157A, GLY2015B, GLY2028B, GLY2058B, GLY2071B, GLY2184B, GLY21A, GLY2251B, GLY2283B, GLY2329B, GLY337A, GLY444A, GLY486A, GLY498A, GLY499A, GLY524A, GLY53A, GLY67A, GLY71A, HIS175A, HIS2019B, HIS2032B, HIS211A, HIS2227B, HIS23A, HIS480A, HIS491A, ILE164A, ILE2099B, ILE2257B, ILE2273B, ILE2288B, ILE2289B, ILE2299B, ILE2316B, ILE329A, ILE333A, ILE340A, ILE454A, ILE45A, ILE493A, ILE506A, ILE515A, ILE521A, ILE81A, LEU151A, LEU158A, LEU17A, LEU19A, LEU2024B, LEU2063B, LEU2064B, LEU2067B, LEU2069B, LEU2088B, LEU2093B, LEU2111B, LEU2224B, LEU2280B, LEU2318B, LEU2322B, LEU2330B, LEU28A, LEU425A, LEU497A, LEU49A, LEU51A, LEU76A, LEU7A, LEU8A, LEU93A, LEU96A, LYS12A, LYS2021B, LYS2022B, LYS2065B, LYS207A, LYS2097B, LYS2103B, LYS2186B, LYS2286B, LYS2309B, LYS338A, LYS341A, LYS351A, LYS381A, LYS475A, LYS47A, LYS507A, LYS9A, MET162A, MET2221B, MET332A, MET428A, MET525A, PHE2023B, PHE2030B, PHE2035B, PHE2072B, PHE2092B, PHE2094B, PHE2110B, PHE2185B, PHE2213B, PHE2308B, PHE2324B, PHE2335B, PHE482A, PHE496A, PHE513A, PHE516A, PHE74A, PHE75A, PHE92A, PRO176A, PRO2029B, PRO2037B, PRO2096B, PRO2116B, PRO213A, PRO2214B, PRO2222B, PRO2225B, PRO2254B, PRO2290B, PRO2317B, PRO330A, PRO419A, PRO443A, PRO490A, PRO52A, SER174A, SER2027B, SER2070B, SER2086B, SER210A, SER2220B, SER2294B, SER2313B, SER336A, SER446A, SER523A, SER526A, SER529A, SER66A, SER79A, SER98A, THR1367B, THR155A, THR2031B, THR2039B, THR212A, THR2182B, THR2217B, THR2277B, THR2281B, THR2295B, THR2305B, THR2312B, THR2332B, THR2334B, THR39A, THR492A, THR510A, THR519A, THR528A, THR531A, TRP2013B, TRP2017B, TRP20A, TYR13A, TYR156A, TYR2271B, TYR2278B, TYR2315B, TYR2321B, TYR2331B, TYR2333B, TYR339A, TYR448A, TYR478A, TYR485A, TYR520A, TYR522A, VAL159A, VAL171A, VAL2020B, VAL2085B, VAL2115B, VAL2191B, VAL2284B, VAL2285B, VAL2292B, VAL2298B, VAL2302B, VAL2307B, VAL2323B, VAL2327B, VAL393A, VAL424A, VAL445A, VAL450A, VAL479A, VAL50A, VAL514A, VAL65A
• A-I: ALA179A, ALA275A, ALA530A, ARG244A, ARG25I, ARG29I, ARG391A, ASN178A, ASN271A, ASN273A, ASN277A, ASP16I, ASP177A, GLN39I, GLN40I, GLN41I, GLU181A, GLU241A, GLU24I, GLU267A, GLU28I, GLU31I, GLU32I, GLU34I, GLY10I, GLY35I, HIS175A, ILE15I, ILE17I, ILE26I, ILE36I, LEU180A, LEU276A, LEU69I, LEU71I, LEU8I, LYS11I, LYS235A, LYS238A, LYS240A, LYS270A, LYS27I, LYS33I, LYS6I, PRO176A, PRO282A, PRO330A, PRO37I, PRO38I, SER283A, SER284A, SER529A, THR236A, THR274A, THR531A, THR7I, THR9I, TYR237A, VAL272A, VAL30I, VAL514A
• A-J: ALA258A, ALA334A, ALA72J, ARG42J, ARG74J, ASN254A, ASN256A, ASN264A, ASN51J, ASP261A, ASP335A, ASP52J, GLN39J, GLN40J, GLN41J, GLN49J, GLU255A, GLU260A, GLU262A, GLU263A, GLU266A, GLU267A, GLU53J, GLY257A, GLY47J, GLY75J, GLY76J, HIS211A, ILE333A, LEU73J, LYS206A, LYS270A, LYS27J, LYS48J, LYS54J, MET332A, MET50J, PRO259A, SER210A, TYR59J
• B-C: ALA1078B, ALA111C, ALA1269B, ALA1270B, ALA149C, ALA150C, ALA2150B, ALA2311B, ALA2314B, ALA2345B, ALA2380B, ALA2383B, ALA2424B, ALA2426B, ALA27C, ALA29C, ALA30C, ARG116C, ARG2136B, ARG2151B, ARG2152B, ARG2233B, ARG2287B, ARG2390B, ARG2403B, ARG33C, ASN109C, ASN1101B, ASN1268B, ASN140C, ASN146C, ASN2131B, ASN2155B, ASN2163B, ASN2319B, ASN2389B, ASN2407B, ASN39C, ASN42C, ASN59C, ASP105C, ASP118C, ASP143C, ASP2034B, ASP2047B, ASP2129B, ASP2132B, ASP2170B, ASP2427B, ASP37C, ASP48C, ASP53C, ASP55C, ASP56C, ASP89C, CYS2049B, GLN10C, GLN154C, GLN2043B, GLN2128B, GLN2137B, GLN2210B, GLN2236B, GLN2241B, GLN2395B, GLN2421B, GLN2432B, GLN31C, GLN35C, GLN84C, GLN9C, GLU1079B, GLU107C, GLU117C, GLU13C, GLU142C, GLU148C, GLU14C, GLU151C, GLU15C, GLU2036B, GLU2040B, GLU2201B, GLU2230B, GLU2240B, GLU2245B, GLU2336B, GLU2386B, GLU2401B, GLU2402B, GLU2422B, GLU40C, GLY1102B, GLY2156B, GLY2195B, GLY2244B, GLY2246B, GLY22C, GLY2387B, GLY2420B, GLY83C, GLY85C, HIS2032B, HIS2139B, HIS88C, ILE2127B, ILE2140B, ILE2141B, ILE2148B, ILE2149B, ILE2154B, ILE2159B, ILE2174B, ILE2310B, ILE2316B, ILE2381B, ILE2400B, ILE34C, ILE38C, ILE49C, LEU145C, LEU2024B, LEU2042B, LEU2045B, LEU2158B, LEU2161B, LEU2162B, LEU2169B, LEU2193B, LEU2204B, LEU2235B, LEU2249B, LEU2385B, LEU2392B, LEU2394B, LEU2423B, LEU2435B, LEU32C, LEU41C, LEU43C, LEU4C, LEU57C, LEU58C, LEU7C, LYS1103B, LYS11C, LYS120C, LYS1274B, LYS12C, LYS147C, LYS2050B, LYS2126B, LYS21C, LYS2239B, LYS2309B, LYS2377B, LYS2388B, LYS2437B, LYS25C, LYS26C, LYS36C, LYS3C, LYS8C, LYS92C, MET2157B, MET2196B, MET2215B, MET2234B, PHE2035B, PHE2044B, PHE2072B, PHE2130B, PHE2134B, PHE2138B, PHE2308B, PHE51C, PHE5C, PHE60C, PRO102C, PRO121C, PRO1272B, PRO141C, PRO144C, PRO2033B, PRO2171B, PRO2176B, PRO2194B, PRO2238B, PRO2242B, PRO2248B, PRO2317B, PRO2350B, PRO2379B, PRO2431B, PRO54C, PRO87C, PRO90C, SER1271B, SER2038B, SER2041B, SER2147B, SER2160B, SER2172B, SER2173B, SER2313B, SER2378B, SER2396B, SER2399B, SER23C, SER24C, SER28C, SER50C, SER52C, SER6C, THR2031B, THR2048B, THR2133B, THR2197B, THR2312B, THR2382B, THR2384B, THR2391B, THR2398B, THR2404B, THR2429B, THR2430B, THR2433B, TRP119C, TRP2153B, TRP2237B, TYR2135B, TYR2164B, TYR2315B, TYR2393B, TYR86C, VAL122C, VAL2051B, VAL2168B, VAL2175B, VAL2191B, VAL2247B, VAL2307B, VAL2397B, VAL2425B, VAL2428B, VAL2434B
• B-I: ALA2056B, ALA2189B, ALA2198B, ALA2291B, ALA2337B, ALA72I, ARG2090B, ARG2151B, ARG2190B, ARG2287B, ARG2339B, ARG42I, ARG74I, ASN2188B, ASN2296B, ASN2320B, ASN2325B, ASN51I, ASP2146B, ASP2179B, ASP2326B, ASP2328B, CYS2061B, CYS2143B, CYS2202B, GLN2091B, GLN2210B, GLN39I, GLN40I, GLN41I, GLN49I, GLU12I, GLU2183B, GLU2201B, GLU2205B, GLU2336B, GLU2338B, GLY10I, GLY2055B, GLY2057B, GLY2058B, GLY2060B, GLY2144B, GLY2180B, GLY2181B, GLY2184B, GLY2187B, GLY2329B, GLY47I, GLY75I, GLY76I, HIS68I, ILE2054B, ILE2148B, ILE2149B, ILE2200B, ILE2288B, ILE2289B, ILE2299B, ILE44I, LEU2059B, LEU2145B, LEU2204B, LEU2206B, LEU2322B, LEU2330B, LEU43I, LEU67I, LEU69I, LEU71I, LEU73I, LEU8I, LYS11I, LYS2186B, LYS2286B, LYS2340B, LYS48I, LYS6I, MET50I, PHE2185B, PHE2324B, PHE2335B, PRO2208B, PRO2209B, PRO2290B, PRO37I, PRO38I, SER2147B, SER46I, THR2182B, THR2203B, THR2295B, THR2332B, THR2334B, THR7I, THR9I, TYR2207B, TYR2321B, TYR2331B, TYR2333B, TYR45I, TYR59I, VAL2211B, VAL2323B, VAL2327B, VAL66I, VAL70I
• B-J: ALA2219B, ARG2223B, ARG74J, ASN2212B, CYS2216B, GLN40J, GLY75J, GLY76J, ILE2218B, LEU73J, LYS33J, MET2215B, MET2221B, PHE2213B, PRO2214B, SER2220B, THR2217B, VAL2428B
• C-J: ASN113C, ASN126C, ASN42C, GLN133C, GLN40J, GLU12J, GLU138C, GLU14J, GLU31J, GLU32J, GLU34J, GLU40C, GLU68C, GLY10J, GLY131C, GLY35J, ILE114C, ILE128C, ILE129C, ILE13J, ILE36J, LEU112C, LEU123C, LEU132C, LEU135C, LEU137C, LEU43C, LEU8J, LYS11J, LYS120C, LYS33J, LYS6J, PRO37J, PRO44C, SER127C, THR124C, THR7J, THR9J, TYR130C, TYR134C, VAL122C