3SPU

apo ndm-1 crystal structure

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 80
  • Norm. En. per Res.: -3.104
• Hub Node: A(4)

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	-25.9237	-40.8702	-181.524	-248.3179	80	11	0	7515	4	35	17
A-C	-12.3444	18.4867	-218.632	-212.4897	117	17	9	9041	5	29	25
A-D	-3.1207	-7.8862	-11.6171	-22.624	9	0	0	474	4	9	10
A-E	-21.0039	29.0014	-104.655	-96.6574	63	14	0	5025	1	11	11
B-C	-11.8291	6.3899	-55.1451	-60.5843	32	2	1	2461	0	2	8
B-D	-10.9598	17.7302	-174.551	-167.7807	101	9	8	7383	4	24	24
B-E	0.0	0.0	-1.263	-1.263	12	0	0	187	0	2	2
C-D	0.0	-5.8631	-40.1738	-46.0369	37	1	0	1914	0	12	7
C-E	0.0	0.0	-0.0288	-0.0288	3	0	0	14	0	0	0
D-E	-4.2013	-10.2225	-58.8842	-73.308	43	7	0	2714	0	8	13

Interface residues

• A-B: ALA121B, ALA149B, ALA215A, ALA224A, ALA224B, ALA266A, ALA72B, ALA74B, ARG264A, ARG270A, ARG32B, ASN220A, ASN220B, ASP124B, ASP223A, ASP223B, ASP225A, ASP267A, ASP48B, ASP66B, ASP95B, ASP96B, GLN100B, GLN123B, GLN151B, GLN97B, GLU152B, GLU227A, GLY127B, GLY153B, GLY188A, GLY219A, GLY219B, GLY222A, GLY222B, GLY69B, GLY71B, HIS120B, HIS122B, HIS189A, HIS189B, HIS250B, ILE35B, LEU148B, LEU218A, LEU218B, LEU221A, LEU221B, LEU269A, LEU272A, LEU49B, LEU65B, LYS125B, LYS211A, LYS211B, LYS216A, LYS268A, LYS271A, MET126B, MET154B, MET265A, MET67B, PHE70A, PHE70B, PRO150B, PRO274A, PRO68B, SER217A, SER217B, SER63B, SER75B, THR190B, THR226A, THR94B, TRP93B, TYR229A, TYR64B, VAL155B, VAL273A, VAL73B
• A-C: ALA121A, ALA121C, ALA141A, ALA141C, ALA143A, ALA143C, ALA149A, ALA149C, ALA156A, ALA156C, ALA157A, ALA157C, ALA164A, ALA164C, ALA165A, ALA165C, ALA224A, ALA224C, ALA230A, ALA230C, ALA231A, ALA231C, ALA233C, ALA235A, ALA235C, ALA239A, ARG234C, ARG270A, ARG270C, ASN142A, ASN142C, ASN146A, ASN146C, ASN166A, ASN166C, ASN220A, ASN220C, ASP192A, ASP192C, ASP223A, ASP223C, ASP225A, ASP225C, GLN147A, GLN147C, GLN151A, GLN151C, GLN158A, GLU152A, GLU152C, GLU170A, GLU170C, GLU227A, GLU227C, GLY167A, GLY167C, GLY186A, GLY186C, GLY188A, GLY188C, GLY222A, GLY222C, HIS120A, HIS122A, HIS122C, HIS159A, HIS159C, HIS228A, HIS228C, LEU144A, LEU144C, LEU148A, LEU148C, LEU161A, LEU161C, LEU221A, LEU221C, LEU269C, LEU272C, LYS271C, PHE163A, PHE163C, PHE183A, PHE183C, PHE70A, PRO150A, PRO150C, PRO185A, PRO185C, PRO187A, PRO187C, PRO274A, PRO274C, SER145A, SER145C, SER160A, SER160C, SER191A, SER191C, SER232A, SER232C, THR162A, THR162C, THR173A, THR173C, THR190A, THR190C, THR226A, THR226C, TRP168A, TRP168C, TYR184A, TYR184C, TYR229A, TYR229C, VAL273A, VAL273C
• A-D: ARG270A, ARG270D, ASP225D, GLU227A, GLU227D, HIS228D, LYS271A, LYS271D, VAL273D
• A-E: ALA114E, ALA134E, ALA135E, ALA138E, ALA156E, ALA157E, ALA172E, ALA174E, ALA230A, ALA231A, ALA235A, ALA238A, ALA239A, ALA243A, ALA257A, ALA258A, ALA263A, ARG234A, ARG256A, ARG264A, ARG85E, ASN176E, ASP202A, ASP254A, ASP267A, ASP82E, GLN158E, GLY136E, GLY178E, GLY237A, GLY83E, GLY84E, HIS133E, HIS159E, HIS261A, ILE137E, ILE246A, ILE259A, LEU111E, LEU115E, LEU132E, LEU87E, LYS242A, LYS268A, MET245A, PHE177E, PHE240A, PRO112E, PRO171E, PRO175E, PRO179E, PRO241A, SER160E, SER213A, SER244A, SER255A, THR139E, THR173E, THR260A, TYR140E, VAL113E, VAL155E, VAL86E
• B-C: ALA72B, ARG270C, ARG32B, ASN220B, ASP267B, ASP66B, GLN37B, GLU227B, GLU227C, GLY222C, GLY69B, GLY69C, GLY71B, ILE31B, ILE35B, LEU221C, LEU269C, LEU272C, LYS268B, LYS271C, MET67B, PHE70B, PHE70C, PRO274C, PRO33B, PRO68B, PRO68C, THR226B, THR226C, THR34B, VAL273C, VAL73B
• B-D: ALA121B, ALA121D, ALA141B, ALA141D, ALA143B, ALA143D, ALA149B, ALA149D, ALA156B, ALA156D, ALA157B, ALA157D, ALA164B, ALA164D, ALA165B, ALA165D, ALA224B, ALA224D, ALA230B, ALA230D, ALA231B, ALA231D, ALA235B, ALA235D, ARG270D, ASN142B, ASN142D, ASN146B, ASN146D, ASN166B, ASN166D, ASP192B, ASP192D, ASP223B, ASP223D, ASP225B, ASP225D, GLN147B, GLN147D, GLN151B, GLN151D, GLU152B, GLU152D, GLU170B, GLU170D, GLU227B, GLU227D, GLY167B, GLY167D, GLY186B, GLY186D, GLY188B, GLY222B, GLY222D, HIS122B, HIS122D, HIS159B, HIS159D, HIS228B, HIS228D, LEU144B, LEU144D, LEU148B, LEU148D, LEU161B, LEU161D, LEU221B, LEU221D, PHE163B, PHE163D, PHE183B, PHE183D, PRO150B, PRO150D, PRO185B, PRO185D, PRO187B, PRO187D, SER145B, SER145D, SER160B, SER160D, SER191B, SER191D, SER232B, SER232D, THR162B, THR162D, THR173B, THR173D, THR190B, THR190D, THR226B, THR226D, TRP168B, TRP168D, TYR184B, TYR184D, TYR229B, TYR229D, VAL273D
• B-E: ALA149B, ARG81E, ASN57E, ASP82E, GLN151B, GLU152B, GLY153B, GLY83E, GLY84E, LEU111E, PRO150B, PRO56E
• C-D: ALA121C, ALA149C, ALA224D, ARG270D, ASN220C, ASN220D, ASP124C, ASP130C, ASP223D, ASP267D, ASP66C, ASP95C, ASP96C, GLN123C, GLN151C, GLU152C, GLY127C, GLY153C, GLY222D, GLY69C, HIS122C, LEU148C, LEU221D, LEU269D, LEU272D, LEU65C, LYS216D, LYS268D, LYS271D, MET154C, MET67C, PRO150C, PRO68C, THR226D, TRP93C, VAL155C, VAL273D
• C-E: GLN151C, LYS106E, PRO150C
• D-E: ALA230D, ALA231D, ALA235D, ALA238D, ALA239D, ALA257D, ALA263D, ALA266D, ALA55E, ARG234D, ARG256D, ARG264D, ARG270D, ARG45E, ARG52E, ARG81E, ASN103E, ASN110E, ASN166D, ASN57E, ASP267D, ASP43E, GLN107E, GLN44E, GLN53E, GLU108E, GLY237D, GLY84E, HIS261D, ILE105E, ILE109E, ILE259D, LEU111E, LYS106E, LYS242D, LYS268D, LYS271D, PHE46E, PRO241D, PRO56E, THR260D, TRP104E, TRP59E