1MV5

crystal structure of lmra atp-binding domain

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 93
  • Norm. En. per Res.: -2.1195
• 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	-22.1948	14.4423	-189.365	-197.1175	93	23	1	7964	0	22	26
A-C	-8.6101	2.6752	-44.9452	-50.8801	76	7	1	2177	1	18	24
A-D	0.0	36.7762	-19.1522	17.624	22	0	0	817	0	13	10
B-C	-7.9513	40.9286	-21.8211	11.1561	27	2	0	983	0	13	10
C-D	-11.3047	32.4912	-131.556	-110.3695	84	22	3	7180	0	17	27

Interface residues

• A-B: ALA1427B, ALA1430B, ALA457A, ALA459A, ARG1391B, ARG1416B, ARG1477B, ARG1493B, ARG1497B, ARG460A, ARG477A, ARG486A, ARG488A, ASN1414B, ASN1436B, ASN465A, ASP1408B, ASP1444B, ASP1505B, ASP455A, ASP468A, GLN1394B, GLN1424B, GLN452A, GLN469A, GLN485A, GLU1390B, GLU1413B, GLU1435B, GLU1442B, GLU1476B, GLU448A, GLU464A, GLU473A, GLU516A, GLY1420B, GLY1431B, GLY1440B, GLY1443B, GLY475A, GLY478A, GLY483A, GLY484A, ILE1407B, ILE1410B, ILE1428B, ILE1481B, ILE481A, LEU1388B, LEU1412B, LEU1437B, LEU1441B, LEU454A, LEU456A, LYS480A, LYS521A, MET1429B, MET1503B, MET466A, MET518A, PHE1386B, PHE1392B, PHE1421B, PHE458A, PHE462A, PRO467A, SER1383B, SER1387B, SER1411B, SER1417B, SER1423B, SER1426B, SER461A, SER482A, SER515A, SER517A, THR1384B, THR1396B, THR1432B, THR1438B, THR472A, TRP1415B, TRP451A, TYR1352B, TYR1393B, TYR1439B, TYR1445B, VAL1422B, VAL453A, VAL463A, VAL474A, VAL479A, VAL519A
• A-C: ALA2427C, ALA2430C, ALA427A, ALA430A, ALA507A, ARG2391C, ARG2416C, ARG2434C, ARG2477C, ARG2493C, ARG2497C, ARG391A, ARG416A, ARG434A, ARG477A, ARG493A, ARG497A, ASN2414C, ASN2471C, ASN414A, ASN436A, ASN471A, ASP2353C, ASP2444C, ASP2468C, ASP353A, ASP425A, ASP444A, ASP468A, ASP505A, GLN424A, GLU2390C, GLU2413C, GLU2435C, GLU2442C, GLU2473C, GLU2476C, GLU390A, GLU413A, GLU435A, GLU442A, GLU473A, GLU476A, GLY2431C, GLY2440C, GLY2443C, GLY431A, GLY440A, GLY443A, ILE2428C, ILE428A, LEU2412C, LEU2441C, LEU412A, LEU441A, PHE2392C, PHE392A, PHE421A, SER2411C, SER2417C, SER2426C, SER383A, SER387A, SER423A, SER426A, THR2432C, THR2438C, THR432A, THR438A, THR472A, TYR2352C, TYR2393C, TYR2439C, TYR393A, TYR439A, TYR445A
• A-D: ASP3353D, ASP3354D, ASP353A, ASP354A, GLU3356D, GLU356A, GLY3379D, GLY3380D, GLY379A, GLY380A, ILE3358D, ILE358A, LYS3553D, LYS553A, PRO3377D, PRO377A, SER3355D, SER3378D, SER355A, SER378A, SER383A, TYR352A
• B-C: ASP1353B, ASP1354B, ASP2353C, ASP2354C, GLU1356B, GLU2356C, GLY1379B, GLY1380B, GLY1381B, GLY2379C, GLY2380C, GLY2381C, ILE1358B, ILE2358C, LYS1553B, LYS2553C, PRO1377B, PRO2377C, SER1355B, SER1378B, SER2355C, SER2378C, SER2383C, THR1384B, THR2384C, TYR1352B, TYR2352C
• C-D: ALA2457C, ALA2459C, ALA3427D, ALA3430D, ARG2460C, ARG2477C, ARG2488C, ARG3391D, ARG3416D, ARG3486D, ARG3493D, ARG3497D, ASN2465C, ASN3414D, ASN3436D, ASP2455C, ASP2468C, ASP3408D, ASP3425D, GLN2452C, GLN2469C, GLN2485C, GLN3394D, GLN3418D, GLN3424D, GLU2448C, GLU2464C, GLU2473C, GLU2476C, GLU2516C, GLU3390D, GLU3435D, GLU3442D, GLU3476D, GLY2478C, GLY2483C, GLY2484C, GLY3420D, GLY3440D, GLY3443D, ILE2481C, ILE3407D, ILE3410D, ILE3419D, ILE3428D, LEU2454C, LEU2456C, LEU3388D, LEU3412D, LEU3441D, LYS2480C, LYS2521C, MET2466C, MET2518C, MET3429D, MET3503D, PHE2458C, PHE2462C, PHE3350D, PHE3386D, PHE3392D, PHE3421D, PRO2467C, SER2461C, SER2482C, SER2517C, SER3383D, SER3387D, SER3411D, SER3423D, SER3426D, THR2472C, THR3384D, THR3438D, TRP2451C, TRP3415D, TYR3352D, TYR3393D, TYR3439D, TYR3445D, VAL2453C, VAL2463C, VAL2479C, VAL3422D