2E5D

crystal structure of human nmprtase complexed with nicotinamide

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 379
  • Norm. En. per Res.: -4.3809
• Hub Node: A(1)

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	-170.264	-84.492	-1405.62	-1660.376	379	53	26	51389	15	138	117

Interface residues

• A-B: ALA14A, ALA14B, ALA204A, ALA204B, ALA222A, ALA222B, ALA225A, ALA225B, ALA244A, ALA244B, ALA245A, ALA245B, ALA252A, ALA252B, ALA261A, ALA261B, ALA286A, ALA286B, ALA419A, ALA419B, ALA83A, ALA83B, ARG196A, ARG196B, ARG311A, ARG311B, ARG392A, ARG392B, ARG40A, ARG40B, ARG424A, ARG424B, ASN10A, ASN10B, ASN146A, ASN146B, ASN285A, ASN285B, ASN316A, ASN316B, ASN412A, ASN412B, ASN422B, ASP16A, ASP16B, ASP192A, ASP192B, ASP219A, ASP219B, ASP235A, ASP235B, ASP256A, ASP256B, ASP260A, ASP260B, ASP279A, ASP279B, ASP282A, ASP282B, ASP313A, ASP313B, ASP319A, ASP319B, ASP354A, ASP354B, ASP393A, ASP393B, ASP416A, ASP416B, ASP420A, ASP420B, ASP85A, ASP85B, ASP93A, ASP93B, ASP94A, ASP94B, CYS397A, CYS397B, CYS401A, CYS401B, GLN154A, GLN154B, GLN201A, GLN201B, GLN25A, GLN25B, GLN268A, GLN268B, GLN388A, GLN388B, GLN92A, GLN92B, GLU149A, GLU149B, GLU202A, GLU202B, GLU246A, GLU246B, GLU445B, GLU82A, GLU82B, GLU89A, GLU89B, GLU8A, GLU8B, GLY194A, GLY194B, GLY197A, GLY197B, GLY205A, GLY205B, GLY207A, GLY207B, GLY217A, GLY217B, GLY223A, GLY223B, GLY239A, GLY239B, GLY254A, GLY254B, GLY315A, GLY315B, GLY353A, GLY353B, GLY355A, GLY355B, GLY383A, GLY383B, GLY384A, GLY384B, GLY385A, GLY385B, HIS191A, HIS191B, HIS22A, HIS22B, HIS247A, HIS247B, HIS257A, HIS257B, HIS264A, HIS264B, HIS90A, HIS90B, ILE11A, ILE11B, ILE148B, ILE151A, ILE151B, ILE206A, ILE206B, ILE250A, ILE250B, ILE265A, ILE265B, ILE283A, ILE283B, ILE411A, ILE411B, ILE65A, ILE65B, LEU12A, LEU12B, LEU13A, LEU13B, LEU152A, LEU152B, LEU212A, LEU212B, LEU224A, LEU224B, LEU387A, LEU387B, LEU390A, LEU390B, LEU70A, LEU70B, LYS19A, LYS19B, LYS216A, LYS216B, LYS228A, LYS228B, LYS229A, LYS229B, LYS24A, LYS24B, LYS255A, LYS255B, LYS323A, LYS323B, LYS32A, LYS32B, LYS389A, LYS389B, LYS400A, LYS400B, LYS415A, LYS415B, LYS423A, LYS423B, LYS427A, LYS427B, LYS68A, LYS68B, LYS88A, LYS88B, PHE193A, PHE193B, PHE269A, PHE269B, PHE37A, PHE37B, PHE399A, PHE399B, PHE414A, PHE414B, PHE91A, PHE91B, PHE9A, PHE9B, PRO158A, PRO158B, PRO236A, PRO236B, PRO238A, PRO238B, PRO243A, PRO243B, PRO273A, PRO273B, PRO27A, PRO27B, PRO28A, PRO28B, PRO312A, PRO312B, PRO317B, PRO417A, PRO417B, PRO421A, PRO421B, SER155A, SER155B, SER17A, SER17B, SER199A, SER199B, SER200A, SER200B, SER241A, SER241B, SER248A, SER248B, SER270B, SER271A, SER271B, SER275A, SER275B, SER278A, SER278B, SER280A, SER280B, SER314A, SER314B, SER35A, SER35B, SER398A, SER398B, SER402A, SER402B, SER425A, SER425B, THR145A, THR145B, THR150A, THR150B, THR15A, THR15B, THR160A, THR160B, THR203A, THR203B, THR218A, THR218B, THR21A, THR21B, THR220A, THR220B, THR249A, THR249B, THR251A, THR251B, THR267B, THR30A, THR30B, THR320A, THR320B, THR391A, THR391B, THR406A, THR406B, TRP143A, TRP143B, TRP147A, TRP147B, TRP156A, TRP156B, TRP253A, TRP253B, TYR142A, TYR142B, TYR157A, TYR157B, TYR188B, TYR18A, TYR18B, TYR195A, TYR195B, TYR23A, TYR23B, TYR240A, TYR240B, TYR26A, TYR26B, TYR281A, TYR281B, TYR284A, TYR284B, TYR34A, TYR34B, TYR403A, TYR403B, TYR64A, TYR64B, TYR69A, TYR69B, TYR87A, TYR87B, VAL153A, VAL153B, VAL161A, VAL161B, VAL198A, VAL198B, VAL20A, VAL20B, VAL221A, VAL221B, VAL237A, VAL237B, VAL242A, VAL242B, VAL266A, VAL266B, VAL272A, VAL272B, VAL274A, VAL274B, VAL276A, VAL276B, VAL277A, VAL277B, VAL33A, VAL33B, VAL404A, VAL404B, VAL405A, VAL405B, VAL413A, VAL413B, VAL418A, VAL418B, VAL86A, VAL86B, VAL95A, VAL95B