3HWC

crystal structure of chlorophenol 4-monooxygenase (tftd) of burkholderia cepacia ac1100

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 304
  • Norm. En. per Res.: -3.3477
• 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	0.0	0.0	-11.7627	-11.7627	17	0	0	699	0	0	3
A-C	-16.6186	46.399	-633.071	-603.2906	240	27	53	27456	0	32	34
A-D	-80.5337	-51.9923	-885.189	-1017.715	304	56	9	35437	11	74	75
B-C	-90.1232	-75.9898	-772.408	-938.5211	296	52	6	33002	10	70	76
B-D	-25.4045	37.2283	-611.253	-599.4291	239	17	51	26520	0	31	34
C-D	0.0	0.0	-14.832	-14.832	14	0	0	785	0	0	4

Interface residues

• A-B: ALA2324B, ALA3324A, ARG2325B, ARG3325A, LEU2319B, LEU3319A, LYS2328B, LYS3328A, PRO2320B, PRO3320A, SER2323B, SER3323A, THR2321B, THR3321A, TYR3378A, VAL2322B, VAL3322A
• A-C: ALA1094C, ALA1095C, ALA1300C, ALA1307C, ALA1324C, ALA1327C, ALA1331C, ALA1335C, ALA1338C, ALA1342C, ALA1367C, ALA1452C, ALA1455C, ALA1465C, ALA1466C, ALA1473C, ALA3076A, ALA3094A, ALA3095A, ALA3300A, ALA3307A, ALA3324A, ALA3327A, ALA3331A, ALA3335A, ALA3338A, ALA3342A, ALA3367A, ALA3452A, ALA3455A, ALA3456A, ALA3465A, ALA3466A, ALA3473A, ARG1080C, ARG1083C, ARG1091C, ARG1295C, ARG1299C, ARG1325C, ARG1418C, ARG1420C, ARG1425C, ARG3080A, ARG3083A, ARG3091A, ARG3295A, ARG3299A, ARG3325A, ARG3418A, ARG3420A, ARG3425A, ASN1358C, ASN1372C, ASN1416C, ASN3358A, ASN3372A, ASN3416A, ASP1363C, ASP1461C, ASP1462C, ASP3363A, ASP3429A, ASP3461A, ASP3462A, CYS1477C, CYS3477A, GLN1248C, GLN1337C, GLN1371C, GLN1422C, GLN1475C, GLN3248A, GLN3337A, GLN3371A, GLN3422A, GLN3475A, GLU1087C, GLU1092C, GLU1301C, GLU1312C, GLU1344C, GLU1345C, GLU1419C, GLU1480C, GLU3087A, GLU3092A, GLU3301A, GLU3312A, GLU3344A, GLU3345A, GLU3419A, GLU3480A, GLY1096C, GLY1305C, GLY1365C, GLY1424C, GLY1467C, GLY1470C, GLY1478C, GLY3096A, GLY3305A, GLY3365A, GLY3424A, GLY3467A, GLY3470A, GLY3478A, HIS1313C, HIS1333C, HIS1339C, HIS1368C, HIS3313A, HIS3333A, HIS3339A, HIS3368A, ILE1093C, ILE1303C, ILE1308C, ILE1310C, ILE1341C, ILE1361C, ILE1423C, ILE1427C, ILE1479C, ILE3093A, ILE3303A, ILE3308A, ILE3310A, ILE3341A, ILE3361A, ILE3423A, ILE3427A, ILE3479A, LEU1090C, LEU1245C, LEU1298C, LEU1302C, LEU1306C, LEU1309C, LEU1319C, LEU1329C, LEU1334C, LEU1340C, LEU1360C, LEU1430C, LEU1450C, LEU3090A, LEU3245A, LEU3298A, LEU3302A, LEU3306A, LEU3309A, LEU3319A, LEU3329A, LEU3334A, LEU3340A, LEU3360A, LEU3430A, LEU3450A, LYS1318C, LYS1328C, LYS1414C, LYS1471C, LYS3318A, LYS3328A, LYS3414A, LYS3471A, MET1336C, MET1458C, MET1463C, MET3336A, MET3458A, MET3463A, PHE1332C, PHE1364C, PHE1451C, PHE1454C, PHE1472C, PHE1481C, PHE3332A, PHE3364A, PHE3451A, PHE3454A, PHE3472A, PHE3481A, PRO1244C, PRO1320C, PRO1359C, PRO1449C, PRO3244A, PRO3320A, PRO3449A, SER1097C, SER1317C, SER1323C, SER1343C, SER1464C, SER1474C, SER3097A, SER3317A, SER3323A, SER3343A, SER3464A, SER3474A, THR1088C, THR1311C, THR1316C, THR1321C, THR1346C, THR1448C, THR1457C, THR1468C, THR3311A, THR3321A, THR3346A, THR3457A, THR3459A, THR3468A, TYR1362C, TYR1469C, TYR3362A, TYR3469A, VAL1297C, VAL1304C, VAL1322C, VAL1326C, VAL1330C, VAL1421C, VAL1426C, VAL1453C, VAL1476C, VAL3297A, VAL3304A, VAL3322A, VAL3326A, VAL3330A, VAL3421A, VAL3426A, VAL3453A, VAL3476A
• A-D: ALA164D, ALA167D, ALA189D, ALA241D, ALA246D, ALA3167A, ALA3189A, ALA3241A, ALA3246A, ALA324D, ALA3384A, ALA3452A, ALA367D, ALA384D, ARG160D, ARG168D, ARG173D, ARG232D, ARG3160A, ARG3168A, ARG3173A, ARG3232A, ARG325D, ARG3325A, ARG3386A, ARG3420A, ARG3425A, ARG3428A, ARG3438A, ARG386D, ARG420D, ARG425D, ARG428D, ARG438D, ASN171D, ASN185D, ASN21D, ASN238D, ASN260D, ASN3021A, ASN3171A, ASN3185A, ASN3238A, ASN3260A, ASN3372A, ASN3410A, ASN3411A, ASN3444A, ASN3446A, ASN372D, ASN410D, ASN411D, ASN416D, ASN444D, ASN446D, ASP155D, ASP159D, ASP163D, ASP239D, ASP250D, ASP253D, ASP259D, ASP3155A, ASP3159A, ASP3163A, ASP3239A, ASP3250A, ASP3253A, ASP3259A, ASP3382A, ASP3398A, ASP3399A, ASP3429A, ASP3434A, ASP382D, ASP398D, ASP399D, ASP429D, ASP434D, CYS231D, CYS3231A, GLN157D, GLN3157A, GLN3371A, GLN3373A, GLN3396A, GLN3401A, GLN3404A, GLN3439A, GLN371D, GLN373D, GLN396D, GLN401D, GLN404D, GLN439D, GLU22D, GLU233D, GLU242D, GLU251D, GLU3022A, GLU312D, GLU3233A, GLU3242A, GLU3251A, GLU3312A, GLU3379A, GLU3394A, GLU3443A, GLU379D, GLU394D, GLU443D, GLY186D, GLY191D, GLY20D, GLY226D, GLY3020A, GLY315D, GLY3186A, GLY3191A, GLY3226A, GLY3315A, GLY3385A, GLY3395A, GLY3403A, GLY3412A, GLY3415A, GLY3436A, GLY3437A, GLY3447A, GLY385D, GLY395D, GLY403D, GLY412D, GLY415D, GLY436D, GLY437D, GLY447D, HIS243D, HIS313D, HIS3243A, HIS3313A, HIS368D, ILE310D, ILE314D, ILE3310A, ILE3314A, ILE3391A, ILE3427A, ILE391D, ILE427D, LEU172D, LEU252D, LEU3172A, LEU319D, LEU3205A, LEU3252A, LEU3319A, LEU3370A, LEU3380A, LEU3381A, LEU3383A, LEU3389A, LEU3409A, LEU3432A, LEU3450A, LEU370D, LEU380D, LEU381D, LEU383D, LEU389D, LEU409D, LEU432D, LEU450D, LYS188D, LYS237D, LYS23D, LYS3188A, LYS318D, LYS3237A, LYS3318A, LYS3408A, LYS3414A, LYS408D, LYS414D, MET3374A, MET3377A, MET3390A, MET3441A, MET374D, MET377D, MET390D, MET441D, PHE230D, PHE258D, PHE3230A, PHE3258A, PHE3369A, PHE3406A, PHE3440A, PHE3442A, PHE3445A, PHE3451A, PHE369D, PHE406D, PHE440D, PHE442D, PHE445D, PHE451D, PRO156D, PRO170D, PRO3156A, PRO3170A, PRO320D, PRO3392A, PRO3413A, PRO3417A, PRO3449A, PRO392D, PRO413D, PRO417D, PRO449D, SER161D, SER162D, SER169D, SER234D, SER254D, SER3161A, SER3162A, SER3169A, SER317D, SER3234A, SER323D, SER3254A, SER3317A, SER3375A, SER3387A, SER3388A, SER3393A, SER3400A, SER3402A, SER375D, SER387D, SER388D, SER393D, SER400D, SER402D, THR158D, THR192D, THR228D, THR235D, THR255D, THR256D, THR3158A, THR316D, THR3192A, THR321D, THR3228A, THR3235A, THR3255A, THR3256A, THR3311A, THR3316A, THR3321A, THR3433A, THR3448A, THR433D, THR448D, TRP18D, TRP3018A, TRP3397A, TRP3405A, TRP3435A, TRP397D, TRP405D, TRP435D, TYR3378A, TYR3431A, TYR378D, TYR431D, VAL154D, VAL16D, VAL175D, VAL184D, VAL187D, VAL190D, VAL19D, VAL227D, VAL229D, VAL257D, VAL3016A, VAL3019A, VAL3154A, VAL3175A, VAL3184A, VAL3187A, VAL3190A, VAL3229A, VAL322D, VAL3257A, VAL3322A, VAL3407A, VAL3453A, VAL376D, VAL407D
• B-C: ALA1164C, ALA1167C, ALA1189C, ALA1241C, ALA1246C, ALA1324C, ALA1367C, ALA1384C, ALA1452C, ALA2167B, ALA2189B, ALA2241B, ALA2246B, ALA2367B, ALA2384B, ALA2452B, ARG1160C, ARG1168C, ARG1173C, ARG1232C, ARG1325C, ARG1386C, ARG1420C, ARG1425C, ARG1428C, ARG1438C, ARG2160B, ARG2168B, ARG2173B, ARG2232B, ARG2325B, ARG2386B, ARG2420B, ARG2425B, ARG2428B, ARG2438B, ASN1021C, ASN1171C, ASN1185C, ASN1238C, ASN1260C, ASN1372C, ASN1410C, ASN1411C, ASN1444C, ASN1446C, ASN2021B, ASN2171B, ASN2185B, ASN2238B, ASN2260B, ASN2372B, ASN2410B, ASN2411B, ASN2444B, ASN2446B, ASP1155C, ASP1159C, ASP1163C, ASP1239C, ASP1250C, ASP1253C, ASP1259C, ASP1382C, ASP1398C, ASP1399C, ASP1429C, ASP1434C, ASP2155B, ASP2159B, ASP2239B, ASP2250B, ASP2253B, ASP2259B, ASP2382B, ASP2398B, ASP2399B, ASP2429B, ASP2434B, CYS1231C, CYS2231B, GLN1157C, GLN1371C, GLN1373C, GLN1396C, GLN1401C, GLN1404C, GLN1439C, GLN2157B, GLN2166B, GLN2371B, GLN2373B, GLN2396B, GLN2401B, GLN2404B, GLN2439B, GLU1022C, GLU1233C, GLU1242C, GLU1251C, GLU1379C, GLU1394C, GLU1443C, GLU2022B, GLU2233B, GLU2242B, GLU2251B, GLU2379B, GLU2394B, GLU2443B, GLY1020C, GLY1186C, GLY1191C, GLY1226C, GLY1315C, GLY1385C, GLY1395C, GLY1403C, GLY1412C, GLY1415C, GLY1436C, GLY1437C, GLY1447C, GLY2020B, GLY2186B, GLY2191B, GLY2226B, GLY2315B, GLY2385B, GLY2395B, GLY2403B, GLY2412B, GLY2415B, GLY2436B, GLY2437B, GLY2447B, HIS1243C, HIS1313C, HIS2243B, HIS2313B, ILE1310C, ILE1314C, ILE1391C, ILE2310B, ILE2314B, ILE2391B, ILE2427B, LEU1172C, LEU1252C, LEU1319C, LEU1370C, LEU1380C, LEU1381C, LEU1383C, LEU1389C, LEU1409C, LEU1432C, LEU1450C, LEU2172B, LEU2252B, LEU2319B, LEU2370B, LEU2381B, LEU2383B, LEU2389B, LEU2409B, LEU2432B, LEU2450B, LYS1023C, LYS1188C, LYS1237C, LYS1328C, LYS1408C, LYS1414C, LYS2188B, LYS2237B, LYS2318B, LYS2408B, LYS2414B, MET1374C, MET1377C, MET1390C, MET1441C, MET2374B, MET2377B, MET2390B, MET2441B, PHE1230C, PHE1258C, PHE1369C, PHE1406C, PHE1440C, PHE1442C, PHE1445C, PHE1451C, PHE2230B, PHE2258B, PHE2369B, PHE2406B, PHE2440B, PHE2442B, PHE2445B, PHE2451B, PRO1156C, PRO1170C, PRO1320C, PRO1392C, PRO1413C, PRO1449C, PRO2156B, PRO2170B, PRO2392B, PRO2413B, PRO2449B, SER1161C, SER1162C, SER1169C, SER1234C, SER1254C, SER1317C, SER1323C, SER1375C, SER1387C, SER1388C, SER1393C, SER1400C, SER1402C, SER2161B, SER2162B, SER2169B, SER2234B, SER2254B, SER2317B, SER2375B, SER2387B, SER2388B, SER2393B, SER2400B, SER2402B, THR1158C, THR1192C, THR1228C, THR1235C, THR1255C, THR1256C, THR1311C, THR1316C, THR1321C, THR1433C, THR1448C, THR2158B, THR2192B, THR2228B, THR2235B, THR2255B, THR2256B, THR2311B, THR2316B, THR2321B, THR2433B, THR2448B, TRP1018C, TRP1397C, TRP1405C, TRP1435C, TRP2018B, TRP2397B, TRP2405B, TRP2435B, TYR1378C, TYR1431C, TYR2378B, TYR2431B, VAL1016C, VAL1019C, VAL1154C, VAL1175C, VAL1187C, VAL1190C, VAL1227C, VAL1229C, VAL1257C, VAL1322C, VAL1376C, VAL1407C, VAL2016B, VAL2019B, VAL2154B, VAL2175B, VAL2187B, VAL2190B, VAL2229B, VAL2257B, VAL2322B, VAL2376B, VAL2407B
• B-D: ALA2076B, ALA2094B, ALA2095B, ALA2300B, ALA2307B, ALA2324B, ALA2327B, ALA2331B, ALA2335B, ALA2338B, ALA2342B, ALA2367B, ALA2452B, ALA2455B, ALA2456B, ALA2465B, ALA2466B, ALA2473B, ALA300D, ALA307D, ALA324D, ALA327D, ALA331D, ALA335D, ALA338D, ALA342D, ALA367D, ALA452D, ALA455D, ALA465D, ALA466D, ALA473D, ALA76D, ALA94D, ALA95D, ARG2080B, ARG2083B, ARG2091B, ARG2295B, ARG2299B, ARG2325B, ARG2418B, ARG2420B, ARG2425B, ARG295D, ARG299D, ARG325D, ARG418D, ARG420D, ARG425D, ARG49D, ARG80D, ARG83D, ARG91D, ASN2358B, ASN2372B, ASN2416B, ASN358D, ASN372D, ASN416D, ASP2363B, ASP2461B, ASP2462B, ASP363D, ASP462D, CYS2477B, CYS477D, GLN2248B, GLN2337B, GLN2371B, GLN2422B, GLN2475B, GLN248D, GLN337D, GLN371D, GLN422D, GLN475D, GLU2087B, GLU2092B, GLU2301B, GLU2312B, GLU2344B, GLU2345B, GLU2419B, GLU2480B, GLU301D, GLU312D, GLU344D, GLU345D, GLU419D, GLU480D, GLU87D, GLU92D, GLY2096B, GLY2305B, GLY2365B, GLY2424B, GLY2467B, GLY2470B, GLY2478B, GLY305D, GLY365D, GLY424D, GLY467D, GLY470D, GLY478D, GLY96D, HIS2313B, HIS2333B, HIS2339B, HIS2368B, HIS313D, HIS333D, HIS339D, HIS368D, ILE2093B, ILE2303B, ILE2308B, ILE2310B, ILE2341B, ILE2361B, ILE2423B, ILE2427B, ILE2479B, ILE303D, ILE308D, ILE310D, ILE341D, ILE361D, ILE423D, ILE427D, ILE479D, ILE93D, LEU2090B, LEU2245B, LEU2298B, LEU2302B, LEU2306B, LEU2309B, LEU2319B, LEU2329B, LEU2334B, LEU2340B, LEU2360B, LEU2430B, LEU2450B, LEU245D, LEU298D, LEU302D, LEU306D, LEU309D, LEU319D, LEU329D, LEU334D, LEU340D, LEU360D, LEU430D, LEU450D, LEU90D, LYS2318B, LYS2328B, LYS2414B, LYS2471B, LYS318D, LYS328D, LYS414D, LYS471D, MET2336B, MET2458B, MET2463B, MET336D, MET458D, MET463D, PHE2332B, PHE2364B, PHE2451B, PHE2454B, PHE2472B, PHE2481B, PHE332D, PHE364D, PHE451D, PHE454D, PHE472D, PHE481D, PRO2244B, PRO2320B, PRO2359B, PRO2449B, PRO244D, PRO320D, PRO359D, PRO449D, SER2097B, SER2317B, SER2323B, SER2343B, SER2464B, SER2474B, SER317D, SER323D, SER343D, SER464D, SER474D, SER97D, THR2311B, THR2321B, THR2346B, THR2457B, THR2468B, THR311D, THR321D, THR346D, THR448D, THR457D, THR468D, THR88D, TYR2362B, TYR2469B, TYR362D, TYR469D, VAL2297B, VAL2304B, VAL2322B, VAL2326B, VAL2330B, VAL2421B, VAL2426B, VAL2453B, VAL2476B, VAL297D, VAL304D, VAL322D, VAL326D, VAL330D, VAL421D, VAL426D, VAL453D, VAL476D
• C-D: ALA1324C, ALA324D, ARG1325C, ARG325D, LEU1319C, LEU319D, PRO1320C, PRO320D, SER1323C, SER323D, THR1321C, THR321D, VAL1322C, VAL322D