3TNL

1.45 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with shikimate and nad.

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 130
  • Norm. En. per Res.: -4.0787
• 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	-70.1863	-43.2273	-419.278	-532.6916	134	15	12	17385	3	34	38
A-D	-28.492	-9.1831	-142.26	-179.9351	82	6	0	6060	3	52	48
B-C	0.0	0.0	390.772	390.772	16	34	0	389	0	0	0
B-D	0.0	0.0	5.1763	5.1763	7	2	0	81	0	1	0
C-D	-55.0893	-42.0692	-433.071	-530.2295	130	12	11	17441	3	34	38

Interface residues

• A-B: ALA35A, ALA35B, ALA37A, ALA37B, ALA47A, ALA47B, ALA64A, ALA64B, ARG24A, ARG24B, ARG63A, ARG63B, ARG68A, ARG68B, ARG8A, ARG8B, ASN33A, ASN33B, ASN3B, ASN66A, ASN66B, ASP42A, ASP42B, ASP57A, ASP57B, CB6.99293-30.42950, GLN60A, GLN60B, GLU14A, GLU14B, GLU288A, GLU288B, GLU34A, GLU34B, GLU49A, GLU49B, GLU54A, GLU54B, GLU7A, GLU7B, GLY105B, GLY11A, GLY11B, GLY17A, GLY17B, GLY51A, GLY51B, GLY61A, GLY61B, HIS12A, HIS12B, HIS25A, HIS25B, HIS32A, HIS32B, ILE16A, ILE16B, ILE19A, ILE19B, ILE23A, ILE23B, ILE286A, ILE286B, ILE289A, ILE289B, ILE5A, ILE5B, ILE9A, ILE9B, LEU15A, LEU15B, LEU18A, LEU18B, LEU27A, LEU27B, LEU290A, LEU290B, LEU46A, LEU46B, LEU55A, LEU55B, LEU67A, LEU67B, LYS287A, LYS287B, LYS38A, LYS38B, LYS4A, LYS4A5, LYS4B, LYS53A, LYS53B, LYS56A, LYS56B, MET31A, MET31B, MET65A, MET65B, PHE291A, PHE291B, PHE36A, PHE36B, PHE48A, PHE48B, PHE62A, PHE62B, PRO29A, PRO29B, SER26A, SER26B, SER28A, SER28B, THR10A, THR10B, THR13A, THR13B, THR30A, THR30B, THR6A, THR6B, TYR285A, TYR285B, TYR43A, TYR43B, TYR45A, TYR45B, VAL44A, VAL44B, VAL50A, VAL50B, VAL58A, VAL58B, VAL59A, VAL59B
• A-D: ALA149D, ALA150D, ALA226A, ALA90D, ARG119D, ARG162A, ARG246A, ARG68D, ASN102D, ASN66D, ASP103D, ASP104D, ASP152D, ASP164A, ASP182D, ASP189A, ASP192A, ASP227A, ASP85D, GLN148D, GLN254A, GLU191A, GLU194A, GLU218A, GLU220A, GLU249A, GLU252A, GLU253A, GLU274D, GLU280D, GLY105D, GLY109D, GLY153D, GLY219A, GLY255A, HIS110D, HIS193A, HIS25A, HIS278D, ILE111D, ILE147D, ILE190A, ILE250A, ILE275D, LEU107D, LEU151D, LEU196A, LEU222A, LEU223A, LEU248A, LEU39D, LEU41D, LEU87D, LYS122D, LYS163A, LYS215A, LYS244A, LYS271D, LYS279D, LYS86D, MET214A, MET228A, MET281D, PHE217A, PHE273D, PRO216A, PRO224A, PRO242A, PRO89D, SER225A, SER88D, THR108D, THR115D, THR181D, THR221A, THR245A, THR277D, TRP276D, TYR43D, VAL101D, VAL106D, VAL212A
• B-C: ASN76C, ASP52C, ASP57C, GLU49C, GLU54C, GLY51C, ILE19C, LEU55C, LYS53C, LYS56C, PHE48C, THR21C, TYR4B, VAL50C, VAL58C, VAL59C
• B-D: ALA64D, ARG63D, ASN66D, GLN60D, GLY61D, MET65D, TYR4B
• C-D: ALA35C, ALA35D, ALA37C, ALA37D, ALA47C, ALA47D, ALA64C, ALA64D, ARG24C, ARG24D, ARG63C, ARG63D, ARG68C, ARG68D, ARG8C, ARG8D, ASN33C, ASN33D, ASN3C, ASN66C, ASN66D, ASP42C, ASP42D, ASP57C, ASP57D, GLN60C, GLN60D, GLU14C, GLU14D, GLU288C, GLU288D, GLU34C, GLU34D, GLU49C, GLU49D, GLU54C, GLU54D, GLU7C, GLU7D, GLY11C, GLY11D, GLY17C, GLY17D, GLY51C, GLY51D, GLY61C, GLY61D, HIS12C, HIS12D, HIS25C, HIS25D, HIS32C, HIS32D, ILE16C, ILE16D, ILE19C, ILE19D, ILE23C, ILE23D, ILE286C, ILE286D, ILE289C, ILE289D, ILE5C, ILE5D, ILE9C, ILE9D, LEU15C, LEU15D, LEU18C, LEU18D, LEU27C, LEU27D, LEU290C, LEU290D, LEU46C, LEU46D, LEU55C, LEU55D, LEU67C, LEU67D, LYS287D, LYS38C, LYS38D, LYS4C, LYS4D, LYS53C, LYS53D, LYS56C, LYS56D, MET31C, MET31D, MET65C, MET65D, PHE291C, PHE291D, PHE36C, PHE36D, PHE48C, PHE48D, PHE62C, PHE62D, PRO29C, PRO29D, SER26C, SER26D, SER28C, SER28D, THR10C, THR10D, THR13C, THR13D, THR30C, THR30D, THR6C, THR6D, TYR285C, TYR285D, TYR43C, TYR43D, TYR45C, TYR45D, VAL44C, VAL44D, VAL50C, VAL50D, VAL58C, VAL58D, VAL59C, VAL59D