1M32

crystal structure of 2-aminoethylphosphonate transaminase

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 41
  • Norm. En. per Res.: -4.4381
• Hub Node: C(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	-140.0033	-91.8833	-545.563	-777.4496	199	35	2	22217	12	44	41
A-D	-34.1085	-40.5091	-107.344	-181.9616	41	6	0	3890	5	20	16
B-D	0.0	0.0	-2.9611	-2.9611	24	0	0	287	0	7	13
C-D	-136.9918	-68.3092	-524.924	-730.2249	199	25	2	21501	12	44	40
C-E	0.0	39.5512	-25.9473	13.6039	16	6	0	1147	0	7	9
C-F	0.0	-30.33	-20.3919	-50.7219	25	0	0	995	1	9	9
D-E	-3.364	-32.9226	-21.6839	-57.9705	26	0	0	1058	1	10	9
E-F	-128.3795	-75.9713	-542.817	-747.1678	200	30	2	21423	11	45	41

Interface residues

• A-B: ALA191A, ALA191B, ALA202A, ALA202B, ALA227A, ALA227B, ALA22A, ALA22B, ALA250A, ALA250B, ALA68A, ALA68B, ALA71A, ALA71B, ALA93A, ALA93B, ALA99A, ALA99B, ARG17A, ARG17B, ARG219A, ARG219B, ARG240A, ARG240B, ARG318A, ARG318B, ARG339A, ARG339B, ARG94A, ARG94B, ASN192A, ASN192B, ASN35B, ASN4B, ASP224A, ASP224B, ASP26A, ASP26B, ASP31A, ASP31B, ASP32A, ASP32B, ASP33A, ASP33B, CYS28A, CYS28B, GLN228A, GLN228B, GLN62A, GLN62B, GLU21A, GLU21B, GLU315B, GLU345A, GLU345B, GLU70A, GLU70B, GLU97A, GLU97B, GLY100A, GLY100B, GLY103A, GLY103B, GLY11A, GLY11B, GLY197A, GLY197B, GLY200A, GLY200B, GLY216A, GLY216B, GLY330A, GLY63A, GLY63B, GLY65A, GLY65B, HIS217A, HIS217B, HIS246A, HIS246B, ILE104A, ILE104B, ILE327A, ILE327B, LEU101A, LEU101B, LEU13A, LEU13B, LEU221A, LEU221B, LEU223A, LEU223B, LEU249A, LEU249B, LEU24A, LEU24B, LEU60A, LEU60B, LEU61A, LEU61B, LEU6A, LEU6B, LEU73A, LEU73B, LEU7A, LEU7B, LEU8A, LEU8B, LYS193A, LYS193B, LYS20A, LYS20B, LYS238A, LYS238B, LYS321A, LYS321B, LYS331A, PHE201A, PHE201B, PHE241A, PHE241B, PHE25A, PHE25B, PHE313A, PHE313B, PRO10A, PRO10B, PRO12A, PRO12B, PRO199A, PRO199B, PRO244A, PRO244B, PRO329A, PRO329B, SER16A, SER16B, SER190A, SER190B, SER218A, SER218B, SER220A, SER220B, SER222A, SER222B, SER243A, SER243B, SER27A, SER27B, SER314A, SER314B, SER64A, SER64B, SER66A, SER66B, THR14A, THR14B, THR15A, THR15B, THR18A, THR18B, THR242A, THR242B, THR245A, THR245B, THR247A, THR247B, THR29A, THR29B, THR9A, THR9B, TRP239A, TRP239B, TRP30A, TRP30B, TYR317A, TYR317B, TYR328A, TYR328B, TYR34A, TYR34B, TYR5A, TYR5B, TYR67A, TYR67B, TYR91A, TYR91B, VAL198A, VAL198B, VAL19A, VAL19B, VAL248A, VAL248B, VAL326A, VAL326B, VAL69A, VAL69B, VAL96A, VAL96B
• A-D: ALA115D, ALA280D, ALA284D, ARG116D, ARG276D, ARG283D, ARG312A, ARG318A, ARG319A, ASN288D, ASP292D, ASP293D, ASP308A, GLN310A, GLN323A, GLU294D, GLU315A, GLU322A, GLY281D, GLY286D, HIS296D, LEU285D, LEU291D, LEU295D, LYS321A, PHE287D, PHE303D, PHE313A, PHE316A, PRO309A, SER277D, SER314A, THR289D, TRP364A, TYR304D, TYR311A, TYR317A, TYR363A, TYR5A, VAL114D, VAL279D
• B-D: ALA115D, ALA121D, ALA124D, ALA128D, ASN127D, ASP110D, ASP118D, ASP292D, ASP32B, CYS111D, GLN334D, GLN41B, GLN44B, GLU40B, GLY112D, GLY37B, HIS236B, ILE36B, LYS256B, LYS260B, SER335D, TYR109D, TYR304D, VAL114D
• C-D: ALA191C, ALA191D, ALA202C, ALA202D, ALA227C, ALA227D, ALA22C, ALA22D, ALA250C, ALA250D, ALA68C, ALA68D, ALA71C, ALA71D, ALA93C, ALA93D, ALA99C, ALA99D, ARG17C, ARG17D, ARG219C, ARG219D, ARG240C, ARG240D, ARG318C, ARG318D, ARG339C, ARG339D, ARG94C, ARG94D, ASN192C, ASN192D, ASN4D, ASP224C, ASP224D, ASP26C, ASP26D, ASP31C, ASP31D, ASP32C, ASP32D, ASP33C, ASP33D, CYS28C, CYS28D, GLN228C, GLN228D, GLN62C, GLN62D, GLU21C, GLU21D, GLU345C, GLU345D, GLU70C, GLU70D, GLU97C, GLU97D, GLY100C, GLY100D, GLY103C, GLY103D, GLY11C, GLY11D, GLY197C, GLY197D, GLY200C, GLY200D, GLY216C, GLY216D, GLY330C, GLY63C, GLY63D, GLY65C, GLY65D, GLY74C, GLY74D, HIS217C, HIS217D, HIS246C, HIS246D, ILE104C, ILE104D, ILE327C, ILE327D, LEU101C, LEU101D, LEU13C, LEU13D, LEU221C, LEU221D, LEU223C, LEU223D, LEU249C, LEU249D, LEU24C, LEU24D, LEU60C, LEU60D, LEU61C, LEU61D, LEU6C, LEU6D, LEU73C, LEU73D, LEU7C, LEU7D, LEU8C, LEU8D, LYS193C, LYS193D, LYS20C, LYS20D, LYS238C, LYS238D, LYS321C, LYS321D, LYS331C, LYS331D, PHE201C, PHE201D, PHE241C, PHE241D, PHE25C, PHE25D, PHE313C, PHE313D, PRO10C, PRO10D, PRO12C, PRO12D, PRO199C, PRO199D, PRO244C, PRO244D, PRO329C, PRO329D, SER16C, SER16D, SER190C, SER190D, SER218C, SER218D, SER220C, SER220D, SER222C, SER222D, SER243C, SER243D, SER27C, SER27D, SER314C, SER64C, SER64D, SER66C, SER66D, THR14C, THR14D, THR15C, THR15D, THR18C, THR18D, THR242C, THR242D, THR245C, THR245D, THR247C, THR247D, THR29C, THR29D, THR9C, THR9D, TRP239C, TRP239D, TRP30C, TRP30D, TYR317C, TYR317D, TYR328C, TYR328D, TYR34C, TYR34D, TYR5C, TYR5D, TYR67C, TYR67D, TYR91C, TYR91D, VAL198C, VAL198D, VAL19C, VAL19D, VAL248C, VAL248D, VAL326C, VAL326D, VAL69C, VAL69D, VAL96C, VAL96D
• C-E: ALA22C, ALA22E, ARG17C, ARG17E, GLU21C, GLU21E, LEU24C, LEU24E, LYS20C, LYS20E, LYS260C, LYS260E, PHE25C, PHE25E, THR18C, THR18E
• C-F: ALA22F, ALA348C, ALA349C, ALA353C, ARG17C, ARG17F, ARG270C, ASN4F, ASP350C, GLU21C, GLU21F, GLU257F, GLU261C, GLU345C, LEU24F, LYS20F, LYS260C, LYS260F, SER16F, THR18F, THR352C, THR356C, TYR347C, TYR5F, VAL346C
• D-E: ALA22D, ALA348E, ALA349E, ALA353E, ARG17D, ARG17E, ARG270E, ASN4D, ASP350E, GLU21D, GLU21E, GLU257D, GLU261E, GLU345E, LEU24D, LYS20D, LYS260D, LYS260E, PHE325E, SER16D, SER16E, THR18D, THR352E, THR356E, TYR347E, VAL346E
• E-F: ALA191E, ALA191F, ALA202E, ALA202F, ALA227E, ALA227F, ALA22E, ALA22F, ALA250E, ALA250F, ALA68E, ALA68F, ALA71E, ALA71F, ALA93E, ALA93F, ALA99E, ALA99F, ARG17E, ARG17F, ARG219E, ARG219F, ARG240E, ARG240F, ARG318E, ARG318F, ARG339E, ARG339F, ARG94E, ARG94F, ASN192E, ASN192F, ASN35E, ASN35F, ASN4F, ASP224E, ASP224F, ASP26E, ASP26F, ASP31E, ASP31F, ASP32E, ASP32F, ASP33E, ASP33F, CYS28E, CYS28F, GLN228E, GLN228F, GLN62E, GLN62F, GLU21E, GLU21F, GLU315E, GLU315F, GLU345E, GLU345F, GLU70E, GLU70F, GLU97E, GLU97F, GLY100E, GLY100F, GLY103E, GLY103F, GLY11E, GLY11F, GLY197E, GLY197F, GLY200E, GLY200F, GLY216E, GLY216F, GLY330E, GLY63E, GLY63F, GLY65E, GLY65F, HIS217E, HIS217F, HIS246E, HIS246F, ILE104E, ILE327E, ILE327F, LEU101E, LEU101F, LEU13E, LEU13F, LEU221E, LEU221F, LEU223E, LEU223F, LEU249E, LEU249F, LEU24E, LEU24F, LEU60E, LEU60F, LEU61E, LEU61F, LEU6E, LEU6F, LEU73E, LEU73F, LEU7E, LEU7F, LEU8E, LEU8F, LYS193E, LYS193F, LYS20E, LYS20F, LYS238E, LYS238F, LYS321E, LYS321F, LYS331F, PHE201E, PHE201F, PHE241E, PHE241F, PHE25E, PHE25F, PHE313E, PHE313F, PRO10E, PRO10F, PRO12E, PRO12F, PRO199E, PRO199F, PRO244E, PRO244F, PRO329E, PRO329F, SER16E, SER16F, SER190E, SER190F, SER218E, SER218F, SER220E, SER220F, SER222E, SER222F, SER243E, SER243F, SER27E, SER27F, SER314E, SER314F, SER64E, SER64F, SER66E, SER66F, THR14E, THR14F, THR15E, THR15F, THR18E, THR18F, THR242E, THR242F, THR245E, THR245F, THR247E, THR247F, THR29E, THR29F, THR9E, THR9F, TRP239E, TRP239F, TRP30E, TRP30F, TYR317E, TYR317F, TYR328E, TYR328F, TYR34E, TYR34F, TYR5E, TYR5F, TYR67E, TYR67F, TYR91E, TYR91F, VAL198E, VAL198F, VAL19E, VAL19F, VAL248E, VAL248F, VAL326E, VAL326F, VAL69E, VAL69F, VAL96E, VAL96F