3D9W

crystal structure analysis of nocardia farcinica arylamine n-acetyltransferase

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 129
  • Norm. En. per Res.: -3.7963
• Hub Node: A(2)

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	-42.9333	-133.3196	-315.35	-491.603	130	21	13	12882	11	37	26
A-C	0.0	56.3418	-20.5739	35.7679	30	0	3	1126	0	21	22
B-D	-50.1577	25.9257	-128.174	-152.406	57	14	3	5344	0	24	24
C-D	-40.9423	-126.5136	-322.266	-489.7219	129	27	13	13345	12	38	25

Interface residues

• A-B: ALA117A, ALA117B, ALA196A, ALA196B, ALA8A, ALA8B, ARG106A, ARG106B, ARG115A, ARG115B, ARG123A, ARG123B, ARG168A, ARG168B, ARG200A, ARG200B, ARG215A, ARG215B, ARG63A, ARG63B, ASN207A, ASN207B, ASP175A, ASP175B, ASP202A, ASP202B, ASP5B, ASP65A, ASP65B, ASP6A, ASP6B, GLN198A, GLN198B, GLU171A, GLU171B, GLU204A, GLU204B, GLY102A, GLY102B, GLY112A, GLY112B, GLY113A, GLY113B, GLY170A, GLY170B, GLY173A, GLY173B, GLY206A, GLY206B, GLY99B, HIS103A, HIS103B, HIS10A, HIS10B, HIS208A, HIS208B, ILE201A, ILE201B, LEU114A, LEU114B, LEU149A, LEU149B, LEU172A, LEU172B, LEU176A, LEU176B, LEU64A, LEU64B, PHE203A, PHE203B, PHE209A, PHE209B, PRO116A, PRO116B, PRO197A, PRO197B, PRO214A, PRO214B, PRO4A, PRO61A, PRO61B, PRO7A, PRO7B, SER211A, SER211B, SER213A, SER213B, SER216A, SER216B, THR101A, THR101B, THR104A, THR104B, THR108A, THR108B, THR118A, THR118B, THR125A, THR125B, THR169B, THR174A, THR174B, THR192A, THR192B, THR194A, THR194B, THR195A, THR195B, THR212A, THR212B, THR219A, THR219B, THR68B, TRP11A, TRP11B, TYR199A, TYR199B, TYR83A, TYR83B, TYR9A, TYR9B, VAL100A, VAL100B, VAL132A, VAL132B, VAL205A, VAL205B, VAL210A, VAL210B, VAL62A
• A-C: ALA14A, ALA14C, ALA20A, ALA20C, ALA67A, ALA67C, ARG31A, ARG31C, ARG95A, ARG95C, ASN12A, ASN12C, ASP17A, ASP17C, ASP19A, ASP19C, GLN70A, GLN70C, GLU15A, GLU15C, GLY13A, GLY13C, HIS75A, HIS75C, LEU16A, LEU16C, LEU18A, LEU18C, LEU66A, LEU66C
• B-D: ALA249B, ALA249D, ALA253B, ALA253D, ARG162B, ARG162D, ARG184B, ARG184D, ARG221B, ARG221D, ARG244B, ARG244D, ARG252B, ARG252D, ASP185B, ASP185D, ASP236B, ASP236D, ASP246B, ASP246D, ASP250B, ASP250D, GLU243B, GLU243D, GLU258D, GLY183B, GLY183D, GLY186B, GLY186D, GLY237D, GLY247B, GLY247D, ILE241B, ILE241D, ILE251B, ILE251D, LEU238B, LEU238D, LEU240B, LEU240D, LEU254B, LEU254D, LEU285D, PHE182B, PHE182D, PRO256B, PRO256D, SER248B, SER248D, THR239B, THR239D, THR242B, THR242D, THR255B, THR255D, TRP187B, TRP187D
• C-D: ALA111C, ALA117C, ALA117D, ALA196C, ALA196D, ALA8C, ALA8D, ARG106C, ARG106D, ARG115C, ARG115D, ARG123C, ARG123D, ARG200C, ARG200D, ARG215C, ARG215D, ARG63C, ARG63D, ASN207C, ASN207D, ASP175C, ASP175D, ASP202C, ASP202D, ASP5C, ASP5D, ASP65D, ASP6C, ASP6D, GLN198C, GLN198D, GLU171C, GLU171D, GLU204C, GLU204D, GLY102C, GLY102D, GLY112C, GLY112D, GLY113C, GLY113D, GLY170C, GLY170D, GLY173C, GLY173D, GLY206C, GLY206D, GLY99C, GLY99D, HIS103C, HIS103D, HIS10C, HIS10D, HIS208C, HIS208D, ILE201C, ILE201D, LEU114C, LEU114D, LEU149C, LEU149D, LEU172C, LEU172D, LEU176C, LEU176D, LEU64D, PHE203C, PHE203D, PHE209C, PHE209D, PRO116C, PRO116D, PRO197C, PRO197D, PRO214C, PRO214D, PRO61D, PRO7C, PRO7D, SER211C, SER211D, SER213C, SER213D, SER216C, SER216D, THR101C, THR101D, THR104C, THR104D, THR108C, THR108D, THR118C, THR118D, THR125C, THR125D, THR169C, THR174C, THR174D, THR192C, THR192D, THR194C, THR194D, THR195C, THR195D, THR212C, THR212D, THR219C, THR219D, THR68D, TRP11C, TRP11D, TYR199C, TYR199D, TYR83C, TYR83D, TYR9C, TYR9D, VAL100C, VAL100D, VAL124C, VAL124D, VAL132C, VAL132D, VAL205C, VAL205D, VAL210C, VAL210D, VAL62D