3HX2
crystal structure of human ferritin phe167serfsx26 mutant. this file is a part 1/3 of the split entry and contains the copies 1 and 2 of the total six copies of the biological unit that are present in the crystallographic asymmetric unit. the entire structure contains six copies of the biological unit in the crystallographic asymmetric unit and is described in remark 400
Total interactions analyzed 1128
Total true interactions 125
Strongest Interaction Chains a-j
Int. Res. 123
Norm. En. per Res. -5.6956
Hub Node C(12)
Click on the Nodes or Edges in the network to see the details
Weak Strong
Width of edge <-> No. of inter. res.
All Interactions
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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 int. res.
A-I -14.2897 50.5784 -153.442 -117.1534 70 6 1 6378 1 29 36
A-J -60.2871 -149.457 -430.909 -640.6531 123 21 6 15606 19 59 43
A-Q -17.8216 46.5961 -170.108 -141.3335 70 5 1 6564 1 30 36
A-S -15.2896 5.7481 -64.1248 -73.6663 36 3 0 2553 1 28 16
A-X -12.9108 8.8276 10 ARG154X, ASP147X, ASP39A, ASP41A, ASP42A, GLU159X, GLU46A, LYS143X, LYS92A, VAL43A
a-i -11.8229 46.6014 -148.911 -114.1325 71 7 1 6402 1 30 36
a-j -90.2249 -182.004 -428.328 -700.5569 123 24 6 15135 23 59 45
a-q -27.9343 41.7703 -165.082 -151.246 72 9 1 6545 1 29 36
a-s -12.2695 6.6246 -70.0185 -75.6634 38 3 1 2721 2 30 17
a-x -7.0856 15.0157 9 ARG154x, ASP147x, ASP39a, ASP41a, ASP42a, GLU46a, LYS143x, THR150x, VAL43a
B-J -10.4391 49.0083 -149.541 -110.9718 70 9 1 6291 1 29 35
B-K -55.6082 -153.7317 -418.517 -627.8569 122 15 5 15291 18 64 46
B-T -29.0596 3.496 -98.2203 -123.784 50 4 1 4262 0 37 21
B-V -9.15 6.9401 9 ASP147V, ASP39B, ASP41B, ASP42B, GLU159V, GLU46B, LYS143V, LYS92B, THR150V
B-X -2.51 55.7163 10 ASP123X, ASP128B, ASP128X, ASP136B, GLN4X, GLU131B, GLU131X, HIS115B, HIS125X, LYS105B
b-j -18.383 51.8822 -153.461 -119.9618 71 6 1 6510 1 29 36
b-k -54.4827 -139.1349 -406.884 -600.5016 122 18 7 14928 16 57 43
b-S 0.0 0.0 -0.0154 -0.0154 4 0 0 5 0 2 1
b-t -11.23 -0.6318 0.0 -11.8618 10 0 0 0 0 0 0
b-v -7.0175 -2.7887 10 ASP147v, ASP39b, ASP41b, ASP42b, GLU159v, GLU164v, GLU46b, HIS148b, LYS143v, LYS92b
b-x -13.2821 48.3951 12 ASP128b, ASP128x, ASP136b, GLN4x, GLU131b, GLU131x, GLY146b, HIS115b, HIS125x, LYS105b, LYS143b, LYS68x
C-K -22.7109 44.9911 -169.389 -147.1088 69 8 1 6556 1 31 36
C-L -58.8105 -152.4353 -436.575 -647.8209 124 21 6 15290 17 63 43
C-U -10.4331 7.0782 8 ASP147C, ASP39U, ASP41U, ASP42U, GLU159C, GLU46U, LYS143C, LYS92U
C-V -25.9797 39.6716 11 ARG6V, ASN108C, ASP128C, ASP128V, ASP136C, GLN7V, GLU131C, GLU131V, HIS115C, HIS125V, LYS105C
C-W -14.936 11.3943 10 ARG154W, ASP147W, ASP39C, ASP41C, ASP42C, GLU159W, GLU46C, LYS143W, LYS92C, VAL43C
c-k -21.9707 47.1291 -155.966 -130.8076 68 7 1 6424 1 29 35
c-l -53.7119 -147.4149 -415.191 -616.3179 121 16 6 14905 18 58 43
c-Q 0.0 0.0 -0.0326 -0.0326 2 0 0 6 0 1 0
c-S 0.0 0.0 -1.2701 -1.2701 10 0 0 193 0 3 5
c-u -9.801 6.3128 10 ARG154c, ASP147c, ASP39u, ASP41u, ASP42u, GLU159c, GLU46u, LYS143c, LYS92u, VAL43u
c-v -19.0387 52.0369 12 ASP128c, ASP128v, ASP136c, GLN4v, GLN7v, GLU131c, GLU131v, HIS115c, HIS125v, LYS105c, LYS143c, LYS68v
c-w -12.3105 5.8135 11 ARG154w, ASP147w, ASP39c, ASP41c, ASP42c, GLU159w, GLU46c, LYS143w, LYS92c, THR150w, VAL43c
D-I -45.7871 -132.1994 -406.204 -584.1905 118 18 7 14681 14 58 44
D-L -22.5051 40.1586 -165.599 -147.9455 72 5 1 6414 1 31 36
D-Q -9.9027 4.4598 -90.7085 -96.1514 47 0 2 3710 0 38 21
D-R -13.4069 -0.6097 -71.5144 -85.531 41 2 1 2705 2 29 16
D-W -20.1149 39.0015 11 ASP128D, ASP128W, ASP136D, GLN4W, GLN7W, GLU131D, GLU131W, GLY146D, HIS115D, HIS125W, LYS105D
d-i -53.8811 -140.9165 -404.431 -599.2285 122 20 6 15006 16 56 43
d-l -7.2674 46.4323 -153.455 -114.29 69 6 1 6495 1 30 36
d-q -27.3364 7.12 -65.6834 -85.8998 41 5 0 2562 0 28 16
d-r -10.3946 -1.4122 -112.177 -123.9839 57 4 2 4693 2 37 22
d-w -4.4146 44.1377 12 ASP123w, ASP128d, ASP128w, ASP136d, GLN4w, GLU131d, GLU131w, HIS115d, HIS125w, LYS105d, LYS143d, LYS68w
E-M -20.3258 39.434 -166.991 -147.8828 70 7 1 6669 1 30 37
E-P -59.7214 -147.0391 -413.456 -620.2166 121 23 5 15111 18 58 43
E-R -9.8616 45.1247 -161.322 -126.0589 71 7 1 6491 1 31 36
E-U -9.1462 -0.8227 8 ASP147U, ASP39E, ASP41E, ASP42E, GLU159U, GLU46E, LYS143U, LYS92E
E-W -14.1268 -6.2989 12 ARG154E, ASP147E, ASP39W, ASP41W, ASP42W, GLU159E, GLU164E, GLU46W, HIS148W, LYS143E, LYS92W, VAL43W
e-m -10.6579 43.9676 -158.119 -124.8094 72 4 1 6523 1 30 36
e-p -56.0814 -132.7427 -395.311 -584.1351 121 24 6 14843 16 65 45
e-r -16.281 52.057 -157.204 -121.4279 72 6 1 6354 1 31 36
e-u -19.5677 0.0147 9 ASP147u, ASP39e, ASP41e, ASP42e, GLU159u, GLU46e, LYS143u, LYS92e, THR150u
e-w -15.6223 9.6116 9 ASP147e, ASP39w, ASP41w, ASP42w, GLU159e, GLU46w, LYS143e, LYS92w, THR150e
F-M -65.7207 -152.1523 -403.344 -621.217 122 20 6 15065 16 61 44
F-N -13.7688 37.4705 -147.228 -123.5263 71 7 1 6290 1 29 35
F-Q -5.6844 16.6081 -61.7386 -50.8149 29 1 0 2338 0 25 13
F-R -2.7956 1.7962 -75.6241 -76.6235 45 1 0 3323 1 36 20
F-S -29.4273 38.6802 -168.683 -159.4301 71 10 1 6746 1 31 36
f-m -90.4777 -145.3676 -405.485 -641.3303 120 27 5 15121 17 66 45
f-n -14.8151 39.7533 -157.019 -132.0808 69 6 1 6411 1 31 36
f-q -5.2778 7.0378 -70.0526 -68.2926 35 5 1 2695 0 29 17
f-r -23.3044 -1.75 -123.937 -148.9914 61 6 4 4791 1 37 21
f-s -21.4882 41.8954 -165.837 -145.4298 73 6 1 6588 1 31 36
G-N -60.7691 -105.3158 -431.354 -597.4389 120 24 6 15519 15 58 43
G-O -16.2124 52.9927 -168.404 -131.6237 70 4 1 6701 1 31 36
G-S -18.8417 3.8689 -68.3891 -83.362 38 8 1 2822 2 29 17
G-T -11.3327 47.9496 -135.6 -98.9831 70 9 1 6349 1 27 36
G-X -26.6042 6.9248 11 ARG154G, ASP147G, ASP39X, ASP41X, ASP42X, GLU159G, GLU46X, LYS143G, LYS92X, THR150G, VAL43X
g-n -65.0858 -141.7635 -418.415 -625.2642 120 18 5 14956 18 58 43
g-o -19.0087 44.1493 -144.242 -119.1013 72 8 1 6397 1 29 36
g-s -12.094 7.4896 -62.5858 -67.1902 36 5 0 2524 0 29 16
g-t -8.6114 42.9717 -74.1379 -39.7775 43 2 1 2812 0 3 5
g-x -15.2065 13.3868 8 ARG154g, ASP147g, ASP39x, ASP41x, ASP42x, GLU46x, LYS143g, VAL43x
H-O -107.1882 -171.6554 -439.573 -718.4167 127 30 6 15853 20 57 45
H-P -24.9732 41.3139 -147.353 -131.0123 74 9 1 6534 1 31 35
H-T -15.1143 4.3185 -67.977 -78.7728 34 3 0 2555 1 29 16
H-U -27.9939 49.1446 14 ASN108H, ASP128H, ASP128U, ASP136H, GLN4U, GLN7U, GLU131H, GLU131U, GLY146H, HIS115H, HIS125U, LYS105H, LYS143H, LYS68U
H-V -9.1427 7.3582 10 ARG154H, ASP147H, ASP39V, ASP41V, ASP42V, GLU159H, GLU46V, LYS143H, LYS92V, VAL43V
h-o -64.5931 -149.9821 -390.677 -605.2522 123 27 6 14743 18 64 45
h-p -5.8153 37.6968 -148.932 -117.0505 71 7 1 6405 1 30 36
h-t -3.0505 8.2923 0.0 5.2419 10 0 0 0 0 0 0
h-u -30.0955 46.2204 13 ASP128h, ASP128u, ASP136h, GLN4u, GLN7u, GLU131h, GLU131u, GLY146h, HIS115h, HIS125u, LYS105h, LYS143h, LYS68u
h-v -17.8483 5.0792 10 ARG154h, ASP147h, ASP39v, ASP41v, ASP42v, GLU159h, GLU46v, LYS143h, LYS92v, VAL43v
I-J -19.6279 17.5008 -63.763 -65.8901 31 3 0 2398 0 25 13
I-L -18.829 16.8998 -57.9102 -59.8393 30 5 0 2205 0 25 13
I-Q -19.5484 47.4188 -159.389 -131.5186 71 5 1 6427 1 29 35
i-j -8.6488 4.486 -65.7909 -69.9537 34 1 0 2526 1 30 16
i-l -24.6954 0.8844 -105.099 -128.91 55 9 1 4513 1 35 21
i-q -13.5231 41.1421 -159.792 -132.1731 71 5 1 6542 1 30 36
J-K -13.3674 15.276 -55.6562 -53.7476 29 5 0 2125 0 25 13
J-X -33.6314 54.6419 11 ASP128J, ASP128X, ASP136X, GLN4J, GLN7J, GLU131J, GLU131X, HIS115X, HIS125J, LYS105X, THR150X
j-k -6.9932 3.4011 -120.911 -124.5032 55 2 3 4872 1 36 21
j-x -23.3332 45.0285 13 ARG6j, ASP123j, ASP128j, ASP128x, ASP136x, GLN4j, GLN7j, GLU131j, GLU131x, HIS115x, HIS125j, LYS105x, THR150x
K-L -15.3922 17.0781 -63.5294 -61.8435 26 3 0 2269 0 25 13
K-V -4.6591 44.1024 9 ASP128K, ASP128V, ASP136V, GLN4K, GLU131K, GLU131V, HIS115V, HIS125K, LYS105V
k-l -18.43 -0.2258 -103.609 -122.2648 54 6 2 4433 1 35 21
k-Q -3.5618 6.6071 -18.5991 -15.5537 18 0 0 960 2 9 8
k-S -9.626 -30.0888 -15.5558 -55.2706 32 6 0 1044 3 8 7
k-v -28.5551 55.7018 13 ARG6k, ASN108v, ASP128k, ASP128v, ASP136v, GLN4k, GLN7k, GLU131k, GLU131v, GLY146v, HIS115v, HIS125k, LYS105v
L-W -27.1042 33.6912 12 ARG6L, ASN108W, ASP128L, ASP128W, ASP136W, GLN4L, GLN7L, GLU131L, GLU131W, HIS115W, HIS125L, LYS105W
l-w -29.075 43.7932 13 ARG6l, ASN108w, ASP128l, ASP128w, ASP136w, GLN4l, GLN7l, GLU131l, GLU131w, HIS115w, HIS125l, ILE5l, LYS105w
M-N -8.0684 1.4522 -113.543 -120.1592 54 2 1 4584 1 35 20
M-P -29.8051 3.8817 -75.969 -101.8923 38 6 1 2927 1 29 17
M-R -7.6747 42.8005 -162.018 -126.8922 70 10 1 6565 1 31 36
m-n -16.2596 1.5006 -75.2671 -90.0261 39 2 0 2824 1 30 16
m-p 0.0 4.3288 -59.506 -55.1772 40 4 0 2756 2 30 16
m-r -24.1683 44.5416 -166.638 -146.2647 77 10 1 6633 1 31 36
N-O -6.0871 -3.7542 -117.682 -127.5233 56 7 2 4941 3 37 22
N-S -25.9486 47.9324 -163.597 -141.6132 71 6 1 6442 1 31 35
n-o -7.9755 4.3902 -72.167 -75.7523 38 1 0 2679 1 29 16
n-s -15.3485 41.993 -162.107 -135.4626 71 3 1 6547 1 30 36
O-P -17.0479 7.5436 -66.9529 -76.4573 33 4 0 2512 1 30 16
O-T -29.3952 41.1515 -160.873 -149.1167 71 9 1 6577 1 30 36
o-p -6.4503 5.3605 -64.9201 -66.0099 38 3 2 2725 1 29 16
o-t -19.9427 40.3635 0.0 20.4208 14 0 0 0 0 0 0
P-U -18.0129 47.6807 12 ASP128P, ASP128U, ASP136U, GLN4P, GLN7P, GLU131P, GLU131U, HIS115U, HIS125P, LYS105U, LYS143U, LYS68P
p-u -45.1451 36.9342 13 ARG6p, ASP128p, ASP128u, ASP136u, GLN4p, GLN7p, GLU131p, GLU131u, GLY146u, HIS115u, HIS125p, LYS105u, THR150u
Q-S -73.1212 -157.4341 -420.933 -651.4883 124 20 6 15070 19 60 43
q-s -67.874 -141.8491 -430.534 -640.257 124 18 5 15564 21 63 45
R-W -58.2105 -162.3375 36 ARG40R, ARG40W, ARG53R, ARG53W, ARG60R, ARG60W, ARG6R, ARG6W, ARG76R, ARG76W, ASN71R, ASN71W, ASP39R, ASP39W, ASP41R, ASP41W, ASP42R, ASP42W, ASP81R, ASP81W, GLU57R, GLU57W, GLU64R, GLU64W, GLU89R, GLU89W, ILE82R, ILE82W, LYS68R, LYS68W, LYS83R, LYS83W, LYS84R, LYS84W, PHE36R, PHE36W
r-w -74.3174 -157.6203 40 3-5.3935523.056715SER, 4-3.9058383.246374GLN, ARG40r, ARG40w, ARG53r, ARG53w, ARG60r, ARG60w, ARG6r, ARG6w, ARG76r, ARG76w, ASN71-2.7266372.695737, ASP39r, ASP39w, ASP41r, ASP41w, ASP42-5.3752872.942122, ASP42r, ASP42w, ASP81-12.3947632.877719, ASP81r, ASP81w, GLU57r, GLU57w, GLU64r, GLU64w, GLU89r, GLU89w, ILE82-12.3986352.799245, ILE82-13.3060272.792092, LYS68-4.2543943.194398, LYS68r, LYS68w, LYS83r, LYS83w, LYS84r, LYS84w, PHE36-4.9730482.887792, TYR29-9.5892612.761022
T-X -78.2865 -172.3665 40 ARG40T, ARG40X, ARG53T, ARG53X, ARG60T, ARG60X, ARG6T, ARG6X, ARG76T, ARG76X, ASN71T, ASN71X, ASP39T, ASP39X, ASP41T, ASP41X, ASP42T, ASP42X, ASP81T, ASP81X, GLN4T, GLN80X, GLU57T, GLU57X, GLU64T, GLU64X, GLU89T, GLU89X, ILE82T, ILE82X, LYS68T, LYS68X, LYS83T, LYS83X, LYS84T, LYS84X, PHE36T, PHE36X, SER3X, TYR29T
t-x -38.4048 -169.5465 37 ARG40t, ARG40x, ARG53t, ARG53x, ARG60t, ARG60x, ARG6t, ARG6x, ARG76t, ARG76x, ASN71t, ASN71x, ASP39t, ASP39x, ASP41t, ASP41x, ASP42t, ASP42x, ASP81t, ASP81x, GLU57t, GLU57x, GLU64t, GLU64x, GLU89t, GLU89x, ILE82t, ILE82x, LYS68t, LYS68x, LYS83t, LYS83x, LYS84t, LYS84x, PHE36t, PHE36x, SER3t
U-V -54.4068 -130.9534 38 ARG40U, ARG40V, ARG53U, ARG53V, ARG60U, ARG60V, ARG6U, ARG6V, ARG76U, ARG76V, ASN71U, ASN71V, ASP39U, ASP39V, ASP41U, ASP41V, ASP42U, ASP42V, ASP81U, ASP81V, GLN80U, GLU57U, GLU57V, GLU64U, GLU64V, GLU89U, GLU89V, ILE82U, ILE82V, LYS68U, LYS68V, LYS83U, LYS83V, LYS84U, LYS84V, PHE36U, PHE36V, TYR29V
u-v -104.9557 -178.7075 39 ARG40u, ARG40v, ARG53u, ARG53v, ARG60u, ARG60v, ARG6u, ARG6v, ARG76u, ARG76v, ASN71u, ASN71v, ASP39u, ASP39v, ASP41u, ASP41v, ASP42u, ASP42v, ASP81u, ASP81v, GLN4u, GLN80v, GLU57u, GLU57v, GLU64u, GLU64v, GLU89u, GLU89v, ILE82u, ILE82v, LYS68u, LYS68v, LYS83u, LYS83v, LYS84u, LYS84v, PHE36u, PHE36v, TYR29u